REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3f94_1_A DATA FIRST_RESID 5 DATA SEQUENCE QVNWPYVNTK LKRDPAVEAQ IEKLLAKMTI EQKVAQMIQP EIGYLTVEQM DATA SEQUENCE RKYGFGSYLN GGNTAPYGNK RADQATWLKY ADEMYLAAMD STLDGIAIPT DATA SEQUENCE VWGTDAMHGH SNVYGATLFP HNIGLGAARD TDLIKRIGQA TAKEVAATGI DATA SEQUENCE EWSFAPTVAV VRDDRWGRTY ESYSEDPDLV KRYAGEMVTG IQGDVGADFL DATA SEQUENCE KGSNRIATAK HFVGDGGTER GVDRGNTLID EKGLRDIHSA GYFSAINQGV DATA SEQUENCE QSVMASFNSW NGKRVHGDKH LLTDVLKNQL GFDGFVVSDW NAHKFVEGcD DATA SEQUENCE LEQcAQAINA GVDVIMVPEH FEAFYHNTVK QVKAGVIAES RINDAVRRFL DATA SEQUENCE RAKIRWGVFT KSKPSARPES QHPQWLGAAE HRTLAREAVR KSLVLLKNNE DATA SEQUENCE SILPIKASSR ILVAGKGANA INMQAGGWSV SWQGTDNTNS DFPNATSIFS DATA SEQUENCE GLQSQVTKAG GKITLSESGE YTSKPDVAIV VIGEEPYAEW FGDIELLEFQ DATA SEQUENCE HETKHALALL KQLKADNIPV VTVFLSGRPL WVNKELNASD AFVAAWLPGS DATA SEQUENCE EGEGVADVLL TNKQGKTQFD FTGKLSFSWP KYDDQFTLNL NDADYDPLFA DATA SEQUENCE YGYGLTYQDN INVPVLSEKT SP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.074 176.000 0.123 0.000 1.003 5 Q CA 0.000 55.865 55.803 0.103 0.000 1.022 5 Q CB 0.000 28.790 28.738 0.087 0.000 1.108 6 V N 4.606 124.630 119.914 0.184 0.000 2.370 6 V HA 0.473 4.590 4.120 -0.004 0.000 0.279 6 V C 0.164 176.408 176.094 0.250 0.000 1.029 6 V CA -0.522 61.880 62.300 0.170 0.000 0.870 6 V CB 1.421 33.344 31.823 0.167 0.000 0.984 6 V HN 0.850 nan 8.190 nan 0.000 0.451 7 N N 4.061 122.843 118.700 0.137 0.000 2.419 7 N HA 0.255 4.993 4.740 -0.004 0.000 0.264 7 N C -1.251 174.339 175.510 0.133 0.000 1.031 7 N CA -0.583 52.570 53.050 0.171 0.000 0.951 7 N CB 0.668 39.208 38.487 0.089 0.000 1.101 7 N HN 0.558 nan 8.380 nan 0.000 0.488 8 W N 4.326 125.660 121.300 0.057 0.000 2.449 8 W HA 0.426 5.083 4.660 -0.005 0.000 0.331 8 W C -1.798 174.717 176.519 -0.007 0.000 1.119 8 W CA -1.769 55.601 57.345 0.042 0.000 1.240 8 W CB 0.632 30.141 29.460 0.081 0.000 1.251 8 W HN 0.411 nan 8.180 nan 0.000 0.576 9 P HA 0.017 nan 4.420 nan 0.000 0.278 9 P C -1.270 176.078 177.300 0.080 0.000 1.238 9 P CA -0.310 62.788 63.100 -0.003 0.000 0.794 9 P CB 0.815 32.368 31.700 -0.245 0.000 0.955 10 Y N 3.037 123.337 120.300 0.001 0.000 2.402 10 Y HA 0.226 4.774 4.550 -0.004 0.000 0.333 10 Y C 1.060 176.963 175.900 0.004 0.000 1.076 10 Y CA 0.300 58.411 58.100 0.020 0.000 1.299 10 Y CB 0.587 39.058 38.460 0.018 0.000 1.197 10 Y HN 0.198 nan 8.280 nan 0.000 0.517 11 V N 1.603 121.311 119.914 -0.342 0.000 3.382 11 V HA 0.239 4.356 4.120 -0.004 0.000 0.296 11 V C 0.036 176.003 176.094 -0.211 0.000 1.529 11 V CA -0.026 62.181 62.300 -0.155 0.000 1.048 11 V CB 0.061 31.884 31.823 -0.001 0.000 0.878 11 V HN 0.748 nan 8.190 nan 0.000 0.442 12 N N 2.693 121.049 118.700 -0.573 0.000 3.331 12 N HA 0.120 4.857 4.740 -0.004 0.000 0.303 12 N C 1.243 176.720 175.510 -0.055 0.000 1.326 12 N CA 0.849 53.717 53.050 -0.304 0.000 1.207 12 N CB 0.194 38.486 38.487 -0.325 0.000 1.477 12 N HN 0.634 nan 8.380 nan 0.000 0.541 13 T N -2.732 111.847 114.554 0.042 0.000 3.060 13 T HA 0.199 4.546 4.350 -0.004 0.000 0.249 13 T C 1.199 175.939 174.700 0.067 0.000 1.079 13 T CA 0.565 62.748 62.100 0.139 0.000 1.013 13 T CB 0.122 69.070 68.868 0.134 0.000 0.975 13 T HN 0.178 nan 8.240 nan 0.000 0.518 14 K N -0.288 120.125 120.400 0.021 0.000 2.306 14 K HA 0.377 4.694 4.320 -0.004 0.000 0.200 14 K C 0.217 176.776 176.600 -0.069 0.000 1.083 14 K CA -0.288 55.989 56.287 -0.017 0.000 0.959 14 K CB 0.143 32.629 32.500 -0.023 0.000 0.994 14 K HN 0.207 nan 8.250 nan 0.000 0.492 15 L N 2.620 123.784 121.223 -0.098 0.000 2.360 15 L HA 0.119 4.456 4.340 -0.004 0.000 0.276 15 L C -0.931 175.873 176.870 -0.109 0.000 1.121 15 L CA 0.222 54.947 54.840 -0.191 0.000 0.845 15 L CB 0.423 42.338 42.059 -0.241 0.000 1.143 15 L HN -0.105 nan 8.230 nan 0.000 0.452 16 K N 5.759 126.087 120.400 -0.119 0.000 2.221 16 K HA 0.444 4.761 4.320 -0.004 0.000 0.258 16 K C -0.298 176.267 176.600 -0.058 0.000 0.944 16 K CA -0.659 55.592 56.287 -0.060 0.000 0.823 16 K CB 1.447 33.921 32.500 -0.044 0.000 1.113 16 K HN 0.617 nan 8.250 nan 0.000 0.431 17 R N 0.875 121.359 120.500 -0.026 0.000 2.734 17 R HA -0.003 4.334 4.340 -0.004 0.000 0.266 17 R C 0.196 176.496 176.300 -0.001 0.000 1.044 17 R CA 0.027 56.122 56.100 -0.008 0.000 1.128 17 R CB 0.322 30.622 30.300 0.001 0.000 1.010 17 R HN 0.507 nan 8.270 nan 0.000 0.461 18 D N 2.389 122.800 120.400 0.018 0.000 2.359 18 D HA 0.150 4.787 4.640 -0.004 0.000 0.230 18 D C -1.842 174.470 176.300 0.020 0.000 1.118 18 D CA -2.502 51.512 54.000 0.023 0.000 0.844 18 D CB 1.637 42.464 40.800 0.045 0.000 1.059 18 D HN 0.121 nan 8.370 nan 0.000 0.493 19 P HA -0.148 nan 4.420 nan 0.000 0.216 19 P C 1.063 178.367 177.300 0.008 0.000 1.153 19 P CA 1.674 64.778 63.100 0.007 0.000 0.858 19 P CB 0.222 31.924 31.700 0.003 0.000 0.789 20 A N -0.697 122.129 122.820 0.010 0.000 1.908 20 A HA -0.189 4.129 4.320 -0.004 0.000 0.218 20 A C 2.363 179.954 177.584 0.012 0.000 1.181 20 A CA 2.037 54.079 52.037 0.008 0.000 0.627 20 A CB -1.731 17.275 19.000 0.011 0.000 0.818 20 A HN 0.047 nan 8.150 nan 0.000 0.445 21 V N 0.362 120.292 119.914 0.027 0.000 2.295 21 V HA -0.211 3.907 4.120 -0.004 0.000 0.246 21 V C 2.551 178.661 176.094 0.027 0.000 1.049 21 V CA 2.110 64.434 62.300 0.040 0.000 1.024 21 V CB -0.748 31.111 31.823 0.061 0.000 0.648 21 V HN 0.537 nan 8.190 nan 0.000 0.447 22 E N 0.492 120.704 120.200 0.020 0.000 2.110 22 E HA -0.187 4.160 4.350 -0.004 0.000 0.193 22 E C 2.340 178.943 176.600 0.005 0.000 0.988 22 E CA 1.488 57.896 56.400 0.013 0.000 0.804 22 E CB -0.593 29.113 29.700 0.010 0.000 0.745 22 E HN 0.584 nan 8.360 nan 0.000 0.458 23 A N 1.421 124.241 122.820 -0.001 0.000 1.902 23 A HA -0.239 4.078 4.320 -0.004 0.000 0.217 23 A C 2.183 179.754 177.584 -0.021 0.000 1.181 23 A CA 1.568 53.599 52.037 -0.010 0.000 0.623 23 A CB -0.524 18.468 19.000 -0.013 0.000 0.818 23 A HN 0.218 nan 8.150 nan 0.000 0.443 24 Q N -0.600 119.184 119.800 -0.027 0.000 2.050 24 Q HA -0.131 4.206 4.340 -0.004 0.000 0.202 24 Q C 2.084 178.066 176.000 -0.030 0.000 0.980 24 Q CA 1.583 57.354 55.803 -0.054 0.000 0.840 24 Q CB -0.346 28.353 28.738 -0.064 0.000 0.898 24 Q HN 0.755 nan 8.270 nan 0.000 0.424 25 I N 0.609 121.181 120.570 0.003 0.000 2.127 25 I HA -0.285 3.882 4.170 -0.004 0.000 0.241 25 I C 2.177 178.300 176.117 0.010 0.000 1.075 25 I CA 1.118 62.429 61.300 0.019 0.000 1.334 25 I CB -0.191 37.823 38.000 0.024 0.000 1.040 25 I HN 0.126 nan 8.210 nan 0.000 0.405 26 E N 0.887 121.089 120.200 0.003 0.000 2.058 26 E HA -0.249 4.098 4.350 -0.004 0.000 0.194 26 E C 2.084 178.681 176.600 -0.005 0.000 0.997 26 E CA 1.301 57.702 56.400 0.002 0.000 0.801 26 E CB -0.190 29.510 29.700 -0.000 0.000 0.746 26 E HN 0.271 nan 8.360 nan 0.000 0.450 27 K N -0.270 120.120 120.400 -0.017 0.000 2.032 27 K HA -0.159 4.158 4.320 -0.004 0.000 0.209 27 K C 1.910 178.497 176.600 -0.021 0.000 1.048 27 K CA 0.957 57.228 56.287 -0.026 0.000 0.927 27 K CB -0.150 32.323 32.500 -0.046 0.000 0.712 27 K HN 0.055 nan 8.250 nan 0.000 0.441 28 L N 1.399 122.610 121.223 -0.020 0.000 2.017 28 L HA -0.122 4.216 4.340 -0.004 0.000 0.208 28 L C 2.092 178.973 176.870 0.019 0.000 1.073 28 L CA 1.475 56.314 54.840 -0.000 0.000 0.745 28 L CB -0.686 41.385 42.059 0.020 0.000 0.894 28 L HN 0.259 nan 8.230 nan 0.000 0.432 29 L N -1.195 120.041 121.223 0.021 0.000 2.083 29 L HA -0.197 4.140 4.340 -0.004 0.000 0.209 29 L C 2.512 179.394 176.870 0.020 0.000 1.083 29 L CA 1.134 55.990 54.840 0.027 0.000 0.752 29 L CB -0.549 41.527 42.059 0.027 0.000 0.899 29 L HN 0.307 nan 8.230 nan 0.000 0.433 30 A N 0.713 123.540 122.820 0.011 0.000 1.972 30 A HA -0.224 4.093 4.320 -0.004 0.000 0.219 30 A C 2.217 179.806 177.584 0.009 0.000 1.169 30 A CA 1.925 53.967 52.037 0.008 0.000 0.635 30 A CB -0.355 18.646 19.000 0.002 0.000 0.810 30 A HN 0.559 nan 8.150 nan 0.000 0.446 31 K N -1.495 118.910 120.400 0.009 0.000 2.379 31 K HA 0.266 4.584 4.320 -0.004 0.000 0.194 31 K C 0.412 177.024 176.600 0.019 0.000 1.031 31 K CA -0.084 56.209 56.287 0.010 0.000 1.037 31 K CB -0.048 32.455 32.500 0.004 0.000 0.824 31 K HN 0.401 nan 8.250 nan 0.000 0.516 32 M N 2.993 122.609 119.600 0.026 0.000 2.235 32 M HA 0.072 4.549 4.480 -0.004 0.000 0.351 32 M C 0.217 176.538 176.300 0.036 0.000 1.178 32 M CA -0.424 54.898 55.300 0.037 0.000 1.143 32 M CB 1.522 34.151 32.600 0.048 0.000 1.530 32 M HN 0.184 nan 8.290 nan 0.000 0.461 33 T N -0.891 113.688 114.554 0.041 0.000 2.788 33 T HA 0.312 4.660 4.350 -0.004 0.000 0.287 33 T C 1.203 175.931 174.700 0.047 0.000 1.007 33 T CA -0.666 61.458 62.100 0.041 0.000 1.005 33 T CB 0.694 69.590 68.868 0.046 0.000 1.012 33 T HN 0.597 nan 8.240 nan 0.000 0.530 34 I N 0.499 121.090 120.570 0.036 0.000 2.194 34 I HA -0.195 3.972 4.170 -0.004 0.000 0.246 34 I C 2.748 178.888 176.117 0.039 0.000 1.093 34 I CA 1.677 62.992 61.300 0.026 0.000 1.355 34 I CB -0.402 37.600 38.000 0.004 0.000 1.046 34 I HN 0.742 nan 8.210 nan 0.000 0.413 35 E N 0.348 120.584 120.200 0.060 0.000 2.077 35 E HA -0.259 4.088 4.350 -0.004 0.000 0.193 35 E C 2.207 178.940 176.600 0.221 0.000 0.989 35 E CA 1.224 57.702 56.400 0.131 0.000 0.800 35 E CB -0.087 29.726 29.700 0.188 0.000 0.746 35 E HN 0.501 nan 8.360 nan 0.000 0.452 36 Q N 0.081 119.968 119.800 0.145 0.000 2.123 36 Q HA -0.082 4.255 4.340 -0.004 0.000 0.199 36 Q C 1.947 178.029 176.000 0.137 0.000 0.966 36 Q CA 1.075 56.956 55.803 0.130 0.000 0.845 36 Q CB 0.020 28.809 28.738 0.084 0.000 0.907 36 Q HN 0.126 nan 8.270 nan 0.000 0.439 37 K N -0.021 120.447 120.400 0.114 0.000 2.026 37 K HA -0.116 4.202 4.320 -0.004 0.000 0.208 37 K C 2.064 178.746 176.600 0.135 0.000 1.048 37 K CA 1.375 57.727 56.287 0.108 0.000 0.929 37 K CB -0.105 32.440 32.500 0.075 0.000 0.713 37 K HN 0.003 nan 8.250 nan 0.000 0.439 38 V N 1.454 121.450 119.914 0.136 0.000 2.407 38 V HA -0.254 3.863 4.120 -0.004 0.000 0.248 38 V C 2.325 178.609 176.094 0.318 0.000 1.055 38 V CA 1.930 64.326 62.300 0.160 0.000 1.049 38 V CB -0.739 31.092 31.823 0.014 0.000 0.662 38 V HN 0.369 nan 8.190 nan 0.000 0.455 39 A N -0.693 122.378 122.820 0.419 0.000 1.948 39 A HA -0.298 4.020 4.320 -0.004 0.000 0.220 39 A C 2.153 179.914 177.584 0.295 0.000 1.177 39 A CA 1.836 54.079 52.037 0.342 0.000 0.636 39 A CB -0.476 18.599 19.000 0.125 0.000 0.815 39 A HN 0.533 nan 8.150 nan 0.000 0.449 40 Q N -1.045 118.895 119.800 0.234 0.000 2.291 40 Q HA -0.008 4.330 4.340 -0.004 0.000 0.205 40 Q C 1.817 177.904 176.000 0.146 0.000 0.970 40 Q CA 1.225 57.180 55.803 0.252 0.000 0.876 40 Q CB -0.247 28.647 28.738 0.260 0.000 0.935 40 Q HN 0.822 nan 8.270 nan 0.000 0.455 41 M N -0.565 119.102 119.600 0.112 0.000 2.441 41 M HA 0.096 4.574 4.480 -0.004 0.000 0.244 41 M C -0.119 176.187 176.300 0.009 0.000 1.122 41 M CA 0.119 55.418 55.300 -0.001 0.000 1.041 41 M CB 0.728 33.367 32.600 0.065 0.000 1.438 41 M HN -0.112 nan 8.290 nan 0.000 0.484 42 I N 1.265 121.908 120.570 0.121 0.000 2.336 42 I HA 0.256 4.424 4.170 -0.004 0.000 0.292 42 I C -0.052 176.028 176.117 -0.062 0.000 0.991 42 I CA -0.442 60.891 61.300 0.055 0.000 1.227 42 I CB 1.174 39.328 38.000 0.256 0.000 1.366 42 I HN 0.158 nan 8.210 nan 0.000 0.466 43 Q N 8.204 127.898 119.800 -0.177 0.000 2.381 43 Q HA 0.468 4.805 4.340 -0.004 0.000 0.263 43 Q C -2.630 173.168 176.000 -0.336 0.000 1.030 43 Q CA -1.573 54.123 55.803 -0.180 0.000 0.772 43 Q CB 2.165 30.891 28.738 -0.021 0.000 1.232 43 Q HN 0.295 nan 8.270 nan 0.000 0.476 44 P HA 0.131 nan 4.420 nan 0.000 0.276 44 P C -0.893 176.210 177.300 -0.329 0.000 1.261 44 P CA -0.275 62.333 63.100 -0.820 0.000 0.800 44 P CB 0.842 31.515 31.700 -1.711 0.000 1.066 45 E N 0.996 121.092 120.200 -0.173 0.000 2.212 45 E HA 0.175 4.523 4.350 -0.004 0.000 0.268 45 E C 1.130 177.813 176.600 0.137 0.000 0.902 45 E CA -0.682 55.758 56.400 0.067 0.000 0.779 45 E CB 1.514 31.271 29.700 0.095 0.000 1.172 45 E HN 0.457 nan 8.360 nan 0.000 0.409 46 I N 1.003 121.683 120.570 0.183 0.000 2.530 46 I HA -0.055 4.113 4.170 -0.004 0.000 0.257 46 I C 1.479 177.606 176.117 0.015 0.000 1.179 46 I CA 1.689 63.062 61.300 0.122 0.000 1.440 46 I CB -0.243 37.803 38.000 0.076 0.000 1.087 46 I HN 0.478 nan 8.210 nan 0.000 0.440 47 G N -0.037 108.730 108.800 -0.055 0.000 2.559 47 G HA2 -0.147 3.811 3.960 -0.004 0.000 0.216 47 G HA3 -0.147 3.811 3.960 -0.004 0.000 0.216 47 G C 0.939 175.523 174.900 -0.527 0.000 1.126 47 G CA 0.712 45.609 45.100 -0.338 0.000 0.778 47 G HN 0.645 nan 8.290 nan 0.000 0.543 48 Y N -1.941 118.425 120.300 0.110 0.000 2.476 48 Y HA 0.398 4.946 4.550 -0.003 0.000 0.261 48 Y C 0.453 176.491 175.900 0.230 0.000 1.077 48 Y CA -1.092 57.109 58.100 0.169 0.000 1.240 48 Y CB 0.436 39.034 38.460 0.229 0.000 1.317 48 Y HN 0.068 nan 8.280 nan 0.000 0.540 49 L N 2.123 123.470 121.223 0.207 0.000 2.312 49 L HA 0.579 4.916 4.340 -0.004 0.000 0.281 49 L C 0.297 177.223 176.870 0.092 0.000 1.070 49 L CA -0.155 54.733 54.840 0.081 0.000 0.805 49 L CB 1.015 42.952 42.059 -0.205 0.000 1.174 49 L HN 0.180 nan 8.230 nan 0.000 0.434 50 T N 1.193 115.820 114.554 0.121 0.000 2.925 50 T HA 0.388 4.735 4.350 -0.004 0.000 0.285 50 T C 1.260 175.945 174.700 -0.025 0.000 1.021 50 T CA -0.486 61.648 62.100 0.056 0.000 1.042 50 T CB 1.404 70.327 68.868 0.092 0.000 1.037 50 T HN 0.382 nan 8.240 nan 0.000 0.481 51 V N 1.242 121.096 119.914 -0.099 0.000 2.324 51 V HA -0.155 3.962 4.120 -0.004 0.000 0.250 51 V C 2.840 178.885 176.094 -0.081 0.000 1.060 51 V CA 2.462 64.671 62.300 -0.152 0.000 1.042 51 V CB -1.127 30.601 31.823 -0.158 0.000 0.650 51 V HN 1.039 nan 8.190 nan 0.000 0.450 52 E N 0.494 120.675 120.200 -0.031 0.000 2.077 52 E HA -0.244 4.103 4.350 -0.004 0.000 0.193 52 E C 2.197 178.793 176.600 -0.005 0.000 0.989 52 E CA 1.669 58.055 56.400 -0.023 0.000 0.800 52 E CB -0.365 29.333 29.700 -0.003 0.000 0.746 52 E HN 0.680 nan 8.360 nan 0.000 0.452 53 Q N -0.825 119.031 119.800 0.093 0.000 2.084 53 Q HA -0.161 4.176 4.340 -0.004 0.000 0.202 53 Q C 2.132 178.245 176.000 0.188 0.000 0.978 53 Q CA 1.781 57.734 55.803 0.250 0.000 0.844 53 Q CB -0.240 28.792 28.738 0.490 0.000 0.898 53 Q HN 0.325 nan 8.270 nan 0.000 0.426 54 M N 0.580 120.231 119.600 0.085 0.000 2.159 54 M HA -0.167 4.310 4.480 -0.004 0.000 0.263 54 M C 1.913 178.142 176.300 -0.119 0.000 1.063 54 M CA 1.622 56.917 55.300 -0.008 0.000 1.110 54 M CB -0.122 32.407 32.600 -0.119 0.000 1.374 54 M HN -0.043 nan 8.290 nan 0.000 0.411 55 R N -0.200 120.228 120.500 -0.121 0.000 2.075 55 R HA -0.172 4.166 4.340 -0.004 0.000 0.232 55 R C 2.310 178.486 176.300 -0.206 0.000 1.126 55 R CA 1.772 57.786 56.100 -0.143 0.000 0.963 55 R CB -0.290 29.943 30.300 -0.113 0.000 0.858 55 R HN 0.472 nan 8.270 nan 0.000 0.435 56 K N -0.815 119.420 120.400 -0.276 0.000 2.057 56 K HA -0.171 4.146 4.320 -0.004 0.000 0.206 56 K C 1.176 177.379 176.600 -0.661 0.000 1.050 56 K CA 1.623 57.615 56.287 -0.493 0.000 0.935 56 K CB 0.022 32.115 32.500 -0.678 0.000 0.715 56 K HN 0.213 nan 8.250 nan 0.000 0.439 57 Y N -1.279 118.734 120.300 -0.477 0.000 2.535 57 Y HA 0.279 4.826 4.550 -0.005 0.000 0.264 57 Y C 1.067 176.555 175.900 -0.687 0.000 1.087 57 Y CA 0.225 57.840 58.100 -0.807 0.000 1.285 57 Y CB 0.754 38.250 38.460 -1.607 0.000 1.200 57 Y HN 0.206 nan 8.280 nan 0.000 0.514 58 G N 1.221 109.789 108.800 -0.386 0.000 2.314 58 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.292 58 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.292 58 G C -0.320 174.508 174.900 -0.121 0.000 1.059 58 G CA -0.351 44.628 45.100 -0.201 0.000 0.982 58 G HN 0.116 nan 8.290 nan 0.000 0.505 59 F N -0.185 119.778 119.950 0.021 0.000 2.629 59 F HA 0.326 4.850 4.527 -0.004 0.000 0.369 59 F C 1.999 177.864 175.800 0.109 0.000 1.125 59 F CA 1.120 59.145 58.000 0.042 0.000 1.330 59 F CB 0.379 39.371 39.000 -0.014 0.000 1.071 59 F HN 0.114 nan 8.300 nan 0.000 0.595 60 G N 0.773 109.794 108.800 0.368 0.000 2.448 60 G HA2 0.107 4.064 3.960 -0.004 0.000 0.219 60 G HA3 0.107 4.064 3.960 -0.004 0.000 0.219 60 G C 0.039 175.238 174.900 0.499 0.000 1.127 60 G CA 0.927 46.290 45.100 0.438 0.000 0.766 60 G HN 0.757 nan 8.290 nan 0.000 0.552 61 S N -1.798 114.162 115.700 0.433 0.000 2.587 61 S HA 0.620 5.087 4.470 -0.004 0.000 0.269 61 S C -1.122 173.723 174.600 0.408 0.000 1.154 61 S CA -1.022 57.463 58.200 0.475 0.000 0.824 61 S CB 1.536 65.113 63.200 0.629 0.000 1.118 61 S HN 0.825 nan 8.310 nan 0.000 0.462 62 Y N -0.276 120.140 120.300 0.193 0.000 2.609 62 Y HA 0.887 5.434 4.550 -0.005 0.000 0.342 62 Y C -1.467 174.576 175.900 0.239 0.000 1.058 62 Y CA -1.740 56.400 58.100 0.066 0.000 1.055 62 Y CB 0.777 39.191 38.460 -0.077 0.000 1.292 62 Y HN 0.773 nan 8.280 nan 0.000 0.476 63 L N 2.878 124.228 121.223 0.211 0.000 2.307 63 L HA 0.521 4.859 4.340 -0.004 0.000 0.284 63 L C -0.756 176.345 176.870 0.385 0.000 1.023 63 L CA -0.583 54.387 54.840 0.217 0.000 0.810 63 L CB 1.251 43.407 42.059 0.161 0.000 1.231 63 L HN 0.833 nan 8.230 nan 0.000 0.423 64 N N 3.086 121.992 118.700 0.344 0.000 2.466 64 N HA 0.230 4.967 4.740 -0.004 0.000 0.263 64 N C 1.064 176.694 175.510 0.200 0.000 1.178 64 N CA 0.660 53.879 53.050 0.282 0.000 0.983 64 N CB 1.051 39.478 38.487 -0.100 0.000 1.331 64 N HN 0.808 nan 8.380 nan 0.000 0.500 65 G N 1.600 110.582 108.800 0.302 0.000 2.572 65 G HA2 0.112 4.069 3.960 -0.004 0.000 0.216 65 G HA3 0.112 4.069 3.960 -0.004 0.000 0.216 65 G C 0.990 176.036 174.900 0.244 0.000 1.133 65 G CA 0.292 45.639 45.100 0.411 0.000 0.791 65 G HN 0.949 nan 8.290 nan 0.000 0.538 66 G N -0.171 108.737 108.800 0.180 0.000 2.175 66 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.244 66 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.244 66 G C 0.936 175.892 174.900 0.093 0.000 0.982 66 G CA 0.491 45.674 45.100 0.138 0.000 0.641 66 G HN 0.478 nan 8.290 nan 0.000 0.527 67 N N -0.464 118.280 118.700 0.074 0.000 2.254 67 N HA 0.109 4.847 4.740 -0.004 0.000 0.190 67 N C 1.283 176.796 175.510 0.005 0.000 1.107 67 N CA 1.374 54.439 53.050 0.026 0.000 0.869 67 N CB 0.453 38.935 38.487 -0.008 0.000 0.983 67 N HN 0.409 nan 8.380 nan 0.000 0.487 68 T N -0.594 113.958 114.554 -0.002 0.000 3.151 68 T HA 0.376 4.723 4.350 -0.004 0.000 0.257 68 T C -0.067 174.565 174.700 -0.112 0.000 0.872 68 T CA 0.517 62.584 62.100 -0.054 0.000 0.873 68 T CB 1.025 69.845 68.868 -0.079 0.000 1.272 68 T HN 0.345 nan 8.240 nan 0.000 0.543 69 A N 1.598 124.335 122.820 -0.137 0.000 6.474 69 A HA 0.036 4.353 4.320 -0.004 0.000 0.222 69 A C -3.011 174.247 177.584 -0.543 0.000 2.357 69 A CA -0.820 51.016 52.037 -0.337 0.000 0.689 69 A CB -1.818 17.031 19.000 -0.251 0.000 0.859 69 A HN 0.241 nan 8.150 nan 0.000 0.354 70 P HA 0.614 nan 4.420 nan 0.000 0.292 70 P C -0.334 176.658 177.300 -0.513 0.000 1.287 70 P CA 0.578 63.094 63.100 -0.974 0.000 0.800 70 P CB 0.046 31.069 31.700 -1.129 0.000 0.945 71 Y N 1.833 122.044 120.300 -0.149 0.000 4.668 71 Y HA -0.285 4.261 4.550 -0.007 0.000 0.234 71 Y C 1.574 177.433 175.900 -0.069 0.000 1.056 71 Y CA 0.657 58.738 58.100 -0.032 0.000 2.025 71 Y CB -2.515 35.944 38.460 -0.002 0.000 1.613 71 Y HN 0.725 nan 8.280 nan 0.000 0.653 72 G N -0.196 108.592 108.800 -0.021 0.000 2.205 72 G HA2 -0.409 3.549 3.960 -0.004 0.000 0.261 72 G HA3 -0.409 3.549 3.960 -0.004 0.000 0.261 72 G C 0.174 175.048 174.900 -0.042 0.000 0.980 72 G CA 0.209 45.291 45.100 -0.031 0.000 0.632 72 G HN 0.812 nan 8.290 nan 0.000 0.533 73 N N 0.738 119.412 118.700 -0.043 0.000 2.453 73 N HA 0.185 4.923 4.740 -0.004 0.000 0.253 73 N C 1.333 176.788 175.510 -0.092 0.000 1.252 73 N CA 0.684 53.700 53.050 -0.058 0.000 0.917 73 N CB 0.492 38.957 38.487 -0.038 0.000 1.117 73 N HN 0.427 nan 8.380 nan 0.000 0.442 74 K N 1.888 122.230 120.400 -0.098 0.000 2.211 74 K HA 0.063 4.381 4.320 -0.004 0.000 0.201 74 K C 0.105 176.628 176.600 -0.129 0.000 1.052 74 K CA 0.733 56.953 56.287 -0.112 0.000 0.973 74 K CB 0.357 32.778 32.500 -0.133 0.000 0.766 74 K HN 0.539 nan 8.250 nan 0.000 0.466 75 R N 0.926 121.333 120.500 -0.156 0.000 2.639 75 R HA 0.332 4.669 4.340 -0.004 0.000 0.273 75 R C -1.133 175.186 176.300 0.032 0.000 1.732 75 R CA -0.267 55.738 56.100 -0.157 0.000 1.586 75 R CB 1.647 31.584 30.300 -0.606 0.000 1.263 75 R HN 0.006 nan 8.270 nan 0.000 0.615 76 A N 1.791 124.700 122.820 0.148 0.000 2.316 76 A HA 0.240 4.557 4.320 -0.004 0.000 0.284 76 A C 0.193 177.988 177.584 0.352 0.000 1.115 76 A CA -0.624 51.504 52.037 0.153 0.000 0.812 76 A CB 0.411 19.352 19.000 -0.098 0.000 1.064 76 A HN 0.681 nan 8.150 nan 0.000 0.489 77 D N 0.966 121.525 120.400 0.265 0.000 2.398 77 D HA -0.020 4.617 4.640 -0.004 0.000 0.247 77 D C 0.763 177.289 176.300 0.376 0.000 1.227 77 D CA -0.218 53.947 54.000 0.275 0.000 0.980 77 D CB 0.582 41.482 40.800 0.167 0.000 1.106 77 D HN 0.670 nan 8.370 nan 0.000 0.493 78 Q N 0.303 120.259 119.800 0.261 0.000 2.112 78 Q HA -0.243 4.094 4.340 -0.004 0.000 0.206 78 Q C 2.107 178.277 176.000 0.284 0.000 0.987 78 Q CA 2.205 58.157 55.803 0.248 0.000 0.858 78 Q CB -0.400 28.409 28.738 0.118 0.000 0.905 78 Q HN 0.661 nan 8.270 nan 0.000 0.420 79 A N -0.065 122.880 122.820 0.209 0.000 1.940 79 A HA -0.214 4.103 4.320 -0.004 0.000 0.219 79 A C 2.202 179.929 177.584 0.238 0.000 1.176 79 A CA 2.156 54.303 52.037 0.184 0.000 0.631 79 A CB -1.113 17.961 19.000 0.124 0.000 0.814 79 A HN 0.625 nan 8.150 nan 0.000 0.446 80 T N -3.334 111.380 114.554 0.267 0.000 2.942 80 T HA -0.138 4.210 4.350 -0.004 0.000 0.265 80 T C 1.573 176.464 174.700 0.318 0.000 1.062 80 T CA 1.281 63.553 62.100 0.288 0.000 1.139 80 T CB -0.413 68.592 68.868 0.229 0.000 0.883 80 T HN 0.562 nan 8.240 nan 0.000 0.468 81 W N 1.313 122.760 121.300 0.245 0.000 2.335 81 W HA 0.130 4.783 4.660 -0.013 0.000 0.311 81 W C 2.279 179.028 176.519 0.384 0.000 1.213 81 W CA 0.765 58.291 57.345 0.302 0.000 1.274 81 W CB -0.456 29.127 29.460 0.205 0.000 1.148 81 W HN 0.238 nan 8.180 nan 0.000 0.498 82 L N -0.007 121.520 121.223 0.507 0.000 2.156 82 L HA -0.141 4.196 4.340 -0.004 0.000 0.208 82 L C 2.399 179.455 176.870 0.310 0.000 1.095 82 L CA 1.155 56.222 54.840 0.379 0.000 0.770 82 L CB -0.835 41.378 42.059 0.257 0.000 0.914 82 L HN -0.015 nan 8.230 nan 0.000 0.439 83 K N -0.091 120.492 120.400 0.306 0.000 2.026 83 K HA -0.249 4.068 4.320 -0.004 0.000 0.208 83 K C 2.275 179.044 176.600 0.282 0.000 1.048 83 K CA 1.571 58.019 56.287 0.269 0.000 0.929 83 K CB -0.260 32.411 32.500 0.285 0.000 0.713 83 K HN 0.106 nan 8.250 nan 0.000 0.439 84 Y N 0.822 121.229 120.300 0.178 0.000 2.097 84 Y HA -0.303 4.246 4.550 -0.002 0.000 0.282 84 Y C 2.132 177.996 175.900 -0.061 0.000 1.152 84 Y CA 2.012 60.069 58.100 -0.071 0.000 1.136 84 Y CB -0.454 37.770 38.460 -0.393 0.000 0.975 84 Y HN 0.210 nan 8.280 nan 0.000 0.498 85 A N 0.160 123.179 122.820 0.331 0.000 1.903 85 A HA -0.284 4.033 4.320 -0.004 0.000 0.219 85 A C 1.925 179.634 177.584 0.208 0.000 1.191 85 A CA 2.326 54.564 52.037 0.334 0.000 0.638 85 A CB -1.040 18.294 19.000 0.557 0.000 0.823 85 A HN 0.570 nan 8.150 nan 0.000 0.451 86 D N -0.564 119.937 120.400 0.168 0.000 2.097 86 D HA -0.120 4.517 4.640 -0.004 0.000 0.195 86 D C 2.027 178.386 176.300 0.098 0.000 0.989 86 D CA 1.453 55.526 54.000 0.122 0.000 0.827 86 D CB -0.387 40.469 40.800 0.095 0.000 0.966 86 D HN 0.654 nan 8.370 nan 0.000 0.456 87 E N -0.272 119.926 120.200 -0.004 0.000 2.051 87 E HA -0.144 4.203 4.350 -0.004 0.000 0.192 87 E C 2.143 178.644 176.600 -0.164 0.000 0.991 87 E CA 0.730 57.075 56.400 -0.092 0.000 0.799 87 E CB -0.032 29.565 29.700 -0.171 0.000 0.748 87 E HN 0.201 nan 8.360 nan 0.000 0.449 88 M N -0.181 119.237 119.600 -0.303 0.000 2.159 88 M HA -0.178 4.299 4.480 -0.004 0.000 0.263 88 M C 2.253 178.492 176.300 -0.103 0.000 1.063 88 M CA 1.408 56.492 55.300 -0.360 0.000 1.110 88 M CB -0.988 31.165 32.600 -0.744 0.000 1.374 88 M HN 0.212 nan 8.290 nan 0.000 0.411 89 Y N 1.046 121.306 120.300 -0.067 0.000 2.181 89 Y HA -0.177 4.370 4.550 -0.004 0.000 0.288 89 Y C 2.111 178.001 175.900 -0.016 0.000 1.146 89 Y CA 1.616 59.721 58.100 0.007 0.000 1.164 89 Y CB -0.213 38.288 38.460 0.067 0.000 0.982 89 Y HN 0.086 nan 8.280 nan 0.000 0.515 90 L N -0.379 120.935 121.223 0.152 0.000 2.156 90 L HA -0.106 4.231 4.340 -0.004 0.000 0.208 90 L C 2.766 179.599 176.870 -0.062 0.000 1.095 90 L CA 0.824 55.697 54.840 0.054 0.000 0.770 90 L CB -0.838 41.285 42.059 0.105 0.000 0.914 90 L HN 0.326 nan 8.230 nan 0.000 0.439 91 A N 0.273 123.041 122.820 -0.087 0.000 1.902 91 A HA -0.146 4.171 4.320 -0.004 0.000 0.217 91 A C 2.530 180.034 177.584 -0.133 0.000 1.181 91 A CA 1.728 53.697 52.037 -0.114 0.000 0.623 91 A CB -0.596 18.319 19.000 -0.142 0.000 0.818 91 A HN 0.378 nan 8.150 nan 0.000 0.443 92 A N -1.159 121.565 122.820 -0.159 0.000 1.897 92 A HA -0.026 4.292 4.320 -0.004 0.000 0.215 92 A C 2.033 179.508 177.584 -0.182 0.000 1.181 92 A CA 1.703 53.643 52.037 -0.161 0.000 0.620 92 A CB -0.415 18.494 19.000 -0.151 0.000 0.821 92 A HN 0.388 nan 8.150 nan 0.000 0.443 93 M N 0.457 119.903 119.600 -0.257 0.000 2.549 93 M HA -0.011 4.466 4.480 -0.004 0.000 0.260 93 M C 0.065 176.303 176.300 -0.104 0.000 1.076 93 M CA 0.398 55.569 55.300 -0.215 0.000 1.090 93 M CB -1.198 31.220 32.600 -0.304 0.000 1.418 93 M HN 0.314 nan 8.290 nan 0.000 0.486 94 D N 0.690 121.034 120.400 -0.094 0.000 2.339 94 D HA 0.095 4.733 4.640 -0.004 0.000 0.241 94 D C 0.723 176.984 176.300 -0.064 0.000 1.183 94 D CA 0.036 53.997 54.000 -0.065 0.000 0.859 94 D CB 0.885 41.647 40.800 -0.065 0.000 1.067 94 D HN 0.151 nan 8.370 nan 0.000 0.484 95 S N 1.523 117.197 115.700 -0.044 0.000 2.631 95 S HA -0.050 4.417 4.470 -0.004 0.000 0.217 95 S C 1.634 176.208 174.600 -0.043 0.000 0.958 95 S CA -0.135 58.042 58.200 -0.039 0.000 0.920 95 S CB -0.039 63.149 63.200 -0.019 0.000 0.776 95 S HN 0.424 nan 8.310 nan 0.000 0.517 96 T N 3.256 117.780 114.554 -0.049 0.000 2.624 96 T HA -0.068 4.280 4.350 -0.004 0.000 0.268 96 T C 1.443 176.107 174.700 -0.059 0.000 1.041 96 T CA 1.964 64.035 62.100 -0.048 0.000 1.159 96 T CB -0.384 68.455 68.868 -0.049 0.000 0.863 96 T HN 0.443 nan 8.240 nan 0.000 0.434 97 L N 0.396 121.569 121.223 -0.085 0.000 2.425 97 L HA 0.159 4.497 4.340 -0.004 0.000 0.215 97 L C 2.097 178.904 176.870 -0.104 0.000 1.065 97 L CA 0.634 55.412 54.840 -0.104 0.000 0.842 97 L CB -0.140 41.830 42.059 -0.148 0.000 1.033 97 L HN 0.281 nan 8.230 nan 0.000 0.474 98 D N -0.511 119.826 120.400 -0.105 0.000 2.369 98 D HA 0.045 4.683 4.640 -0.004 0.000 0.211 98 D C 1.408 177.688 176.300 -0.034 0.000 1.077 98 D CA 0.753 54.703 54.000 -0.083 0.000 0.842 98 D CB 0.585 41.314 40.800 -0.119 0.000 0.947 98 D HN 0.202 nan 8.370 nan 0.000 0.509 99 G N 0.943 109.723 108.800 -0.033 0.000 2.155 99 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.257 99 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.257 99 G C 0.072 174.969 174.900 -0.004 0.000 0.983 99 G CA 0.645 45.737 45.100 -0.014 0.000 0.676 99 G HN 0.549 nan 8.290 nan 0.000 0.528 100 I N -1.122 119.444 120.570 -0.008 0.000 3.004 100 I HA 0.658 4.825 4.170 -0.004 0.000 0.305 100 I C -0.622 175.498 176.117 0.005 0.000 1.312 100 I CA -0.791 60.514 61.300 0.010 0.000 0.992 100 I CB 1.904 39.922 38.000 0.029 0.000 1.282 100 I HN 0.421 nan 8.210 nan 0.000 0.449 101 A N 7.292 130.133 122.820 0.035 0.000 3.064 101 A HA 0.605 4.922 4.320 -0.004 0.000 0.339 101 A C -0.817 176.822 177.584 0.091 0.000 1.078 101 A CA -0.264 51.792 52.037 0.031 0.000 0.869 101 A CB -0.390 18.635 19.000 0.042 0.000 1.067 101 A HN 0.468 nan 8.150 nan 0.000 0.480 102 I N 2.302 122.891 120.570 0.031 0.000 2.312 102 I HA 0.284 4.452 4.170 -0.004 0.000 0.290 102 I C -2.309 173.703 176.117 -0.175 0.000 1.008 102 I CA -2.298 58.995 61.300 -0.012 0.000 1.226 102 I CB 2.001 40.030 38.000 0.049 0.000 1.371 102 I HN 0.275 nan 8.210 nan 0.000 0.468 103 P HA 0.027 nan 4.420 nan 0.000 0.267 103 P C 0.033 177.231 177.300 -0.170 0.000 1.205 103 P CA 0.046 62.936 63.100 -0.349 0.000 0.765 103 P CB 0.579 32.050 31.700 -0.381 0.000 0.828 104 T N 1.775 116.297 114.554 -0.054 0.000 2.754 104 T HA 0.445 4.792 4.350 -0.004 0.000 0.286 104 T C -0.215 174.594 174.700 0.181 0.000 0.997 104 T CA -0.314 61.858 62.100 0.119 0.000 0.982 104 T CB 0.196 69.192 68.868 0.212 0.000 1.027 104 T HN 0.264 nan 8.240 nan 0.000 0.529 105 V N 0.044 120.113 119.914 0.258 0.000 3.007 105 V HA 0.701 4.818 4.120 -0.004 0.000 0.311 105 V C -1.391 174.821 176.094 0.198 0.000 1.120 105 V CA -1.263 61.164 62.300 0.211 0.000 0.980 105 V CB 1.785 33.662 31.823 0.090 0.000 1.033 105 V HN 0.873 nan 8.190 nan 0.000 0.429 106 W N 2.345 123.550 121.300 -0.159 0.000 2.433 106 W HA 0.861 5.520 4.660 -0.002 0.000 0.315 106 W C 0.316 176.712 176.519 -0.206 0.000 1.087 106 W CA -0.396 56.641 57.345 -0.514 0.000 1.205 106 W CB 1.619 30.827 29.460 -0.419 0.000 1.288 106 W HN 1.108 nan 8.180 nan 0.000 0.504 107 G N 1.937 110.747 108.800 0.016 0.000 2.511 107 G HA2 0.615 4.573 3.960 -0.004 0.000 0.318 107 G HA3 0.615 4.573 3.960 -0.004 0.000 0.318 107 G C -1.413 173.080 174.900 -0.679 0.000 1.210 107 G CA -0.462 44.387 45.100 -0.418 0.000 0.969 107 G HN 0.338 nan 8.290 nan 0.000 0.484 108 T N -0.219 113.649 114.554 -1.144 0.000 3.012 108 T HA 0.343 4.690 4.350 -0.004 0.000 0.330 108 T C -1.833 172.095 174.700 -1.287 0.000 1.321 108 T CA -0.612 60.935 62.100 -0.922 0.000 1.067 108 T CB 1.942 70.494 68.868 -0.527 0.000 1.235 108 T HN 0.432 nan 8.240 nan 0.000 0.479 109 D N 2.213 122.180 120.400 -0.721 0.000 2.308 109 D HA 0.530 5.167 4.640 -0.004 0.000 0.251 109 D C -0.467 175.720 176.300 -0.189 0.000 1.127 109 D CA -0.127 53.661 54.000 -0.353 0.000 0.876 109 D CB 1.356 42.162 40.800 0.010 0.000 1.176 109 D HN 0.671 nan 8.370 nan 0.000 0.446 110 A N 5.318 128.055 122.820 -0.137 0.000 2.802 110 A HA 0.181 4.498 4.320 -0.004 0.000 0.344 110 A C 1.165 178.752 177.584 0.005 0.000 1.215 110 A CA -0.532 51.474 52.037 -0.052 0.000 0.821 110 A CB 0.306 19.243 19.000 -0.106 0.000 1.099 110 A HN 0.557 nan 8.150 nan 0.000 0.479 111 M N 0.853 120.491 119.600 0.063 0.000 2.254 111 M HA -0.022 4.455 4.480 -0.004 0.000 0.265 111 M C 0.614 177.082 176.300 0.279 0.000 1.066 111 M CA 1.591 56.944 55.300 0.089 0.000 1.123 111 M CB -0.833 31.808 32.600 0.068 0.000 1.388 111 M HN 0.965 nan 8.290 nan 0.000 0.425 112 H N -2.414 116.695 119.070 0.065 0.000 2.922 112 H HA 0.512 5.068 4.556 0.001 0.000 0.219 112 H C 0.087 175.540 175.328 0.209 0.000 1.356 112 H CA -0.352 55.741 56.048 0.074 0.000 1.424 112 H CB -0.386 29.312 29.762 -0.108 0.000 2.045 112 H HN 0.323 nan 8.280 nan 0.000 0.595 113 G N 0.789 109.728 108.800 0.232 0.000 2.610 113 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.304 113 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.304 113 G C -0.806 174.157 174.900 0.106 0.000 1.309 113 G CA -0.502 44.739 45.100 0.235 0.000 0.906 113 G HN 0.813 nan 8.290 nan 0.000 0.521 114 H N 1.229 120.268 119.070 -0.052 0.000 3.563 114 H HA 0.344 4.900 4.556 -0.000 0.000 0.219 114 H C 1.991 177.256 175.328 -0.105 0.000 1.771 114 H CA 0.432 56.411 56.048 -0.116 0.000 1.458 114 H CB -0.214 29.450 29.762 -0.163 0.000 1.796 114 H HN 0.599 nan 8.280 nan 0.000 0.652 115 S N 1.197 116.935 115.700 0.063 0.000 2.527 115 S HA -0.145 4.323 4.470 -0.004 0.000 0.222 115 S C 1.474 176.115 174.600 0.068 0.000 0.985 115 S CA 0.349 58.558 58.200 0.014 0.000 0.921 115 S CB -0.054 63.205 63.200 0.097 0.000 0.772 115 S HN 0.809 nan 8.310 nan 0.000 0.529 116 N N 1.002 119.730 118.700 0.047 0.000 2.336 116 N HA 0.030 4.768 4.740 -0.004 0.000 0.189 116 N C -0.363 175.119 175.510 -0.045 0.000 1.113 116 N CA -0.037 53.046 53.050 0.055 0.000 0.858 116 N CB 0.212 38.776 38.487 0.130 0.000 0.970 116 N HN 0.222 nan 8.380 nan 0.000 0.471 117 V N 2.196 121.970 119.914 -0.235 0.000 2.394 117 V HA 0.102 4.219 4.120 -0.004 0.000 0.282 117 V C -0.480 175.548 176.094 -0.110 0.000 1.031 117 V CA -0.940 61.206 62.300 -0.258 0.000 0.881 117 V CB 0.479 31.830 31.823 -0.787 0.000 0.982 117 V HN 0.198 nan 8.190 nan 0.000 0.451 118 Y N 4.485 124.728 120.300 -0.094 0.000 2.805 118 Y HA 0.355 4.908 4.550 0.006 0.000 0.331 118 Y C 1.296 177.143 175.900 -0.089 0.000 1.241 118 Y CA 1.431 59.477 58.100 -0.090 0.000 1.546 118 Y CB 0.327 38.767 38.460 -0.035 0.000 1.248 118 Y HN 0.956 nan 8.280 nan 0.000 0.559 119 G N 3.069 111.488 108.800 -0.636 0.000 2.194 119 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.236 119 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.236 119 G C 0.216 174.963 174.900 -0.254 0.000 0.987 119 G CA -0.106 44.705 45.100 -0.482 0.000 0.635 119 G HN 1.298 nan 8.290 nan 0.000 0.520 120 A N 0.653 123.342 122.820 -0.218 0.000 2.407 120 A HA 0.643 4.960 4.320 -0.004 0.000 0.248 120 A C 0.903 178.383 177.584 -0.175 0.000 1.082 120 A CA 1.017 52.958 52.037 -0.160 0.000 0.785 120 A CB 0.198 19.102 19.000 -0.159 0.000 1.020 120 A HN 0.895 nan 8.150 nan 0.000 0.489 121 T N 2.562 117.008 114.554 -0.180 0.000 2.908 121 T HA 0.282 4.629 4.350 -0.004 0.000 0.301 121 T C -0.001 174.419 174.700 -0.467 0.000 1.019 121 T CA 0.694 62.585 62.100 -0.348 0.000 1.152 121 T CB -0.353 68.246 68.868 -0.448 0.000 0.966 121 T HN 0.375 nan 8.240 nan 0.000 0.540 122 L N 4.437 125.370 121.223 -0.483 0.000 2.276 122 L HA 0.466 4.804 4.340 -0.004 0.000 0.286 122 L C -0.230 176.358 176.870 -0.471 0.000 1.024 122 L CA -0.776 53.757 54.840 -0.511 0.000 0.826 122 L CB 0.468 42.285 42.059 -0.403 0.000 1.211 122 L HN 0.544 nan 8.230 nan 0.000 0.422 123 F N 3.345 123.178 119.950 -0.196 0.000 2.378 123 F HA 0.359 4.891 4.527 0.009 0.000 0.319 123 F C -1.678 174.130 175.800 0.015 0.000 1.155 123 F CA -2.142 55.816 58.000 -0.069 0.000 1.157 123 F CB -0.076 38.897 39.000 -0.046 0.000 1.252 123 F HN 0.275 nan 8.300 nan 0.000 0.550 124 P HA -0.051 nan 4.420 nan 0.000 0.265 124 P C -0.309 177.093 177.300 0.170 0.000 1.187 124 P CA 0.406 63.606 63.100 0.166 0.000 0.766 124 P CB 0.217 32.023 31.700 0.176 0.000 0.820 125 H N 2.328 121.485 119.070 0.145 0.000 2.895 125 H HA -0.004 4.550 4.556 -0.002 0.000 0.371 125 H C 1.473 176.867 175.328 0.109 0.000 1.219 125 H CA 0.526 56.615 56.048 0.068 0.000 1.431 125 H CB 0.409 30.170 29.762 -0.001 0.000 1.414 125 H HN 0.414 nan 8.280 nan 0.000 0.617 126 N N 1.230 120.065 118.700 0.226 0.000 2.137 126 N HA -0.163 4.575 4.740 -0.004 0.000 0.190 126 N C 2.066 177.692 175.510 0.194 0.000 1.017 126 N CA 0.815 53.940 53.050 0.124 0.000 0.859 126 N CB -0.314 37.985 38.487 -0.314 0.000 1.002 126 N HN 0.604 nan 8.380 nan 0.000 0.428 127 I N 0.279 120.899 120.570 0.084 0.000 2.208 127 I HA -0.193 3.975 4.170 -0.004 0.000 0.245 127 I C 1.958 177.886 176.117 -0.316 0.000 1.097 127 I CA 1.685 62.941 61.300 -0.073 0.000 1.363 127 I CB -0.393 37.431 38.000 -0.292 0.000 1.051 127 I HN 0.123 nan 8.210 nan 0.000 0.413 128 G N 0.657 109.303 108.800 -0.257 0.000 2.403 128 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.216 128 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.216 128 G C 1.619 176.543 174.900 0.042 0.000 1.154 128 G CA 0.601 45.560 45.100 -0.236 0.000 0.784 128 G HN 0.422 nan 8.290 nan 0.000 0.538 129 L N 0.874 122.199 121.223 0.170 0.000 2.083 129 L HA -0.019 4.318 4.340 -0.004 0.000 0.209 129 L C 3.139 180.227 176.870 0.363 0.000 1.083 129 L CA 0.994 55.991 54.840 0.261 0.000 0.752 129 L CB -0.726 41.536 42.059 0.338 0.000 0.899 129 L HN 0.321 nan 8.230 nan 0.000 0.433 130 G N -0.165 108.834 108.800 0.332 0.000 2.440 130 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.218 130 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.218 130 G C 1.783 176.694 174.900 0.017 0.000 1.154 130 G CA 0.821 45.984 45.100 0.104 0.000 0.767 130 G HN 0.470 nan 8.290 nan 0.000 0.552 131 A N 1.129 123.948 122.820 -0.001 0.000 1.972 131 A HA 0.261 4.579 4.320 -0.004 0.000 0.219 131 A C 2.767 180.409 177.584 0.097 0.000 1.169 131 A CA 2.103 54.165 52.037 0.042 0.000 0.635 131 A CB -0.664 18.407 19.000 0.119 0.000 0.810 131 A HN 0.828 nan 8.150 nan 0.000 0.446 132 A N -1.015 121.881 122.820 0.127 0.000 2.019 132 A HA -0.052 4.265 4.320 -0.004 0.000 0.219 132 A C 1.148 178.802 177.584 0.115 0.000 1.164 132 A CA 0.912 53.020 52.037 0.119 0.000 0.644 132 A CB -0.321 18.743 19.000 0.106 0.000 0.805 132 A HN 0.430 nan 8.150 nan 0.000 0.449 133 R N 0.149 120.744 120.500 0.159 0.000 3.158 133 R HA -0.163 4.175 4.340 -0.004 0.000 0.244 133 R C -0.917 175.474 176.300 0.153 0.000 0.900 133 R CA 1.125 57.319 56.100 0.155 0.000 0.618 133 R CB -2.160 28.172 30.300 0.053 0.000 1.061 133 R HN 0.655 nan 8.270 nan 0.000 0.471 134 D N -0.499 119.995 120.400 0.156 0.000 2.330 134 D HA 0.116 4.753 4.640 -0.004 0.000 0.249 134 D C 1.134 177.335 176.300 -0.164 0.000 1.306 134 D CA 0.279 54.279 54.000 -0.000 0.000 0.956 134 D CB 0.759 41.545 40.800 -0.023 0.000 1.261 134 D HN 0.187 nan 8.370 nan 0.000 0.544 135 T N 0.172 114.656 114.554 -0.117 0.000 2.788 135 T HA -0.191 4.156 4.350 -0.004 0.000 0.268 135 T C 1.441 176.007 174.700 -0.223 0.000 1.044 135 T CA 1.450 63.410 62.100 -0.234 0.000 1.139 135 T CB -0.007 68.821 68.868 -0.065 0.000 0.867 135 T HN 0.295 nan 8.240 nan 0.000 0.454 136 D N 1.071 121.388 120.400 -0.138 0.000 2.117 136 D HA -0.103 4.535 4.640 -0.004 0.000 0.197 136 D C 2.005 178.212 176.300 -0.154 0.000 0.987 136 D CA 0.825 54.753 54.000 -0.120 0.000 0.829 136 D CB -0.474 40.283 40.800 -0.072 0.000 0.961 136 D HN 0.305 nan 8.370 nan 0.000 0.460 137 L N 0.278 121.400 121.223 -0.167 0.000 2.012 137 L HA -0.135 4.203 4.340 -0.004 0.000 0.210 137 L C 2.029 178.742 176.870 -0.261 0.000 1.073 137 L CA 1.483 56.215 54.840 -0.179 0.000 0.748 137 L CB -0.566 41.405 42.059 -0.147 0.000 0.891 137 L HN 0.162 nan 8.230 nan 0.000 0.431 138 I N -0.049 120.297 120.570 -0.373 0.000 2.208 138 I HA -0.319 3.848 4.170 -0.004 0.000 0.245 138 I C 2.529 178.453 176.117 -0.321 0.000 1.097 138 I CA 1.535 62.572 61.300 -0.439 0.000 1.363 138 I CB -1.353 36.212 38.000 -0.725 0.000 1.051 138 I HN 0.447 nan 8.210 nan 0.000 0.413 139 K N 0.845 121.088 120.400 -0.262 0.000 2.057 139 K HA -0.143 4.175 4.320 -0.004 0.000 0.206 139 K C 2.314 178.793 176.600 -0.201 0.000 1.050 139 K CA 1.119 57.289 56.287 -0.195 0.000 0.935 139 K CB 0.031 32.444 32.500 -0.144 0.000 0.715 139 K HN 0.181 nan 8.250 nan 0.000 0.439 140 R N 0.331 120.710 120.500 -0.202 0.000 2.096 140 R HA -0.085 4.252 4.340 -0.004 0.000 0.235 140 R C 2.317 178.439 176.300 -0.296 0.000 1.127 140 R CA 1.529 57.508 56.100 -0.202 0.000 0.968 140 R CB -0.296 29.915 30.300 -0.148 0.000 0.861 140 R HN 0.272 nan 8.270 nan 0.000 0.440 141 I N -0.167 120.167 120.570 -0.395 0.000 2.252 141 I HA -0.175 3.993 4.170 -0.004 0.000 0.245 141 I C 2.537 178.332 176.117 -0.537 0.000 1.102 141 I CA 1.341 62.234 61.300 -0.679 0.000 1.385 141 I CB -0.664 36.861 38.000 -0.791 0.000 1.064 141 I HN 0.310 nan 8.210 nan 0.000 0.414 142 G N 0.239 108.829 108.800 -0.351 0.000 2.446 142 G HA2 -0.277 3.680 3.960 -0.004 0.000 0.217 142 G HA3 -0.277 3.680 3.960 -0.004 0.000 0.217 142 G C 1.548 176.300 174.900 -0.247 0.000 1.168 142 G CA 0.565 45.515 45.100 -0.250 0.000 0.771 142 G HN 0.402 nan 8.290 nan 0.000 0.551 143 Q N 0.202 119.854 119.800 -0.247 0.000 2.096 143 Q HA -0.049 4.289 4.340 -0.004 0.000 0.204 143 Q C 3.007 178.802 176.000 -0.342 0.000 0.982 143 Q CA 1.386 57.039 55.803 -0.250 0.000 0.850 143 Q CB -0.293 28.320 28.738 -0.209 0.000 0.901 143 Q HN 0.493 nan 8.270 nan 0.000 0.422 144 A N 0.364 122.929 122.820 -0.426 0.000 1.898 144 A HA -0.157 4.160 4.320 -0.004 0.000 0.216 144 A C 2.233 179.539 177.584 -0.464 0.000 1.181 144 A CA 1.769 53.397 52.037 -0.681 0.000 0.620 144 A CB -0.773 17.818 19.000 -0.683 0.000 0.819 144 A HN 0.310 nan 8.150 nan 0.000 0.442 145 T N 0.312 114.681 114.554 -0.308 0.000 2.777 145 T HA 0.008 4.356 4.350 -0.004 0.000 0.266 145 T C 2.238 176.819 174.700 -0.197 0.000 1.040 145 T CA 1.441 63.433 62.100 -0.180 0.000 1.141 145 T CB -0.446 68.316 68.868 -0.176 0.000 0.868 145 T HN 0.589 nan 8.240 nan 0.000 0.444 146 A N 1.792 124.486 122.820 -0.211 0.000 1.908 146 A HA -0.189 4.129 4.320 -0.004 0.000 0.218 146 A C 2.263 179.743 177.584 -0.174 0.000 1.181 146 A CA 1.879 53.814 52.037 -0.170 0.000 0.627 146 A CB -0.486 18.425 19.000 -0.148 0.000 0.818 146 A HN 0.456 nan 8.150 nan 0.000 0.445 147 K N -0.320 119.906 120.400 -0.290 0.000 2.057 147 K HA -0.122 4.195 4.320 -0.004 0.000 0.207 147 K C 2.009 178.628 176.600 0.033 0.000 1.049 147 K CA 1.558 57.618 56.287 -0.378 0.000 0.931 147 K CB -0.154 31.805 32.500 -0.901 0.000 0.714 147 K HN 0.608 nan 8.250 nan 0.000 0.440 148 E N 0.343 120.559 120.200 0.027 0.000 2.150 148 E HA -0.148 4.199 4.350 -0.004 0.000 0.193 148 E C 2.065 178.688 176.600 0.039 0.000 0.985 148 E CA 1.066 57.543 56.400 0.128 0.000 0.814 148 E CB -0.002 29.778 29.700 0.132 0.000 0.752 148 E HN 0.069 nan 8.360 nan 0.000 0.466 149 V N 1.703 121.497 119.914 -0.201 0.000 2.307 149 V HA -0.241 3.877 4.120 -0.004 0.000 0.245 149 V C 2.467 178.446 176.094 -0.192 0.000 1.045 149 V CA 1.782 63.774 62.300 -0.513 0.000 1.024 149 V CB -0.748 30.729 31.823 -0.575 0.000 0.651 149 V HN 0.277 nan 8.190 nan 0.000 0.449 150 A N 0.202 123.022 122.820 0.000 0.000 1.948 150 A HA -0.207 4.110 4.320 -0.004 0.000 0.220 150 A C 2.354 180.059 177.584 0.201 0.000 1.177 150 A CA 2.177 54.315 52.037 0.168 0.000 0.636 150 A CB -0.818 18.377 19.000 0.324 0.000 0.815 150 A HN 0.629 nan 8.150 nan 0.000 0.449 151 A N -0.644 122.318 122.820 0.238 0.000 2.178 151 A HA -0.005 4.313 4.320 -0.004 0.000 0.218 151 A C 2.042 179.643 177.584 0.029 0.000 1.157 151 A CA 2.086 54.224 52.037 0.169 0.000 0.689 151 A CB -0.912 18.217 19.000 0.214 0.000 0.787 151 A HN 0.874 nan 8.150 nan 0.000 0.465 152 T N -5.435 109.083 114.554 -0.059 0.000 3.092 152 T HA 0.441 4.789 4.350 -0.004 0.000 0.258 152 T C 1.109 175.854 174.700 0.075 0.000 1.031 152 T CA 0.934 62.913 62.100 -0.201 0.000 0.925 152 T CB 0.153 68.569 68.868 -0.752 0.000 1.036 152 T HN 1.648 nan 8.240 nan 0.000 0.544 153 G N 1.431 110.315 108.800 0.140 0.000 2.149 153 G HA2 -0.174 3.783 3.960 -0.004 0.000 0.235 153 G HA3 -0.174 3.783 3.960 -0.004 0.000 0.235 153 G C -0.163 174.907 174.900 0.284 0.000 1.018 153 G CA -0.046 45.224 45.100 0.283 0.000 0.728 153 G HN 0.655 nan 8.290 nan 0.000 0.508 154 I N -0.305 120.296 120.570 0.052 0.000 2.404 154 I HA 0.419 4.586 4.170 -0.004 0.000 0.293 154 I C 0.968 177.042 176.117 -0.073 0.000 0.992 154 I CA -0.875 60.380 61.300 -0.075 0.000 1.149 154 I CB 1.746 39.486 38.000 -0.432 0.000 1.315 154 I HN 0.063 nan 8.210 nan 0.000 0.446 155 E N 4.003 124.143 120.200 -0.100 0.000 2.415 155 E HA 0.004 4.351 4.350 -0.004 0.000 0.197 155 E C -0.805 175.665 176.600 -0.217 0.000 1.007 155 E CA 0.347 56.541 56.400 -0.343 0.000 0.890 155 E CB 0.417 29.593 29.700 -0.873 0.000 0.891 155 E HN 0.500 nan 8.360 nan 0.000 0.496 156 W N 1.569 122.700 121.300 -0.280 0.000 2.715 156 W HA 0.467 5.125 4.660 -0.003 0.000 0.331 156 W C -1.208 175.185 176.519 -0.210 0.000 1.031 156 W CA -1.680 55.570 57.345 -0.158 0.000 1.237 156 W CB 1.081 30.540 29.460 -0.001 0.000 1.378 156 W HN -0.174 nan 8.180 nan 0.000 0.454 157 S N 4.872 120.593 115.700 0.035 0.000 2.513 157 S HA 0.671 5.139 4.470 -0.004 0.000 0.299 157 S C -0.944 173.646 174.600 -0.016 0.000 1.087 157 S CA -0.722 57.321 58.200 -0.262 0.000 1.012 157 S CB 1.029 64.096 63.200 -0.221 0.000 1.044 157 S HN 0.337 nan 8.310 nan 0.000 0.485 158 F N 2.252 122.089 119.950 -0.189 0.000 2.405 158 F HA 0.653 5.180 4.527 -0.001 0.000 0.358 158 F C 0.821 176.549 175.800 -0.120 0.000 1.151 158 F CA -0.393 57.523 58.000 -0.141 0.000 1.161 158 F CB 0.456 39.343 39.000 -0.189 0.000 1.245 158 F HN 0.978 nan 8.300 nan 0.000 0.545 159 A N 4.889 127.761 122.820 0.088 0.000 2.586 159 A HA 0.612 4.930 4.320 -0.004 0.000 0.296 159 A C -3.068 174.521 177.584 0.008 0.000 1.040 159 A CA -1.322 50.718 52.037 0.006 0.000 0.701 159 A CB 1.574 20.562 19.000 -0.019 0.000 1.277 159 A HN 0.304 nan 8.150 nan 0.000 0.413 160 P HA 0.486 nan 4.420 nan 0.000 0.278 160 P C -0.358 176.879 177.300 -0.106 0.000 1.258 160 P CA -0.027 63.062 63.100 -0.018 0.000 0.811 160 P CB 0.888 32.637 31.700 0.081 0.000 1.063 161 T N 0.630 115.089 114.554 -0.159 0.000 2.771 161 T HA 0.262 4.610 4.350 -0.004 0.000 0.291 161 T C 0.907 175.496 174.700 -0.186 0.000 0.954 161 T CA -0.265 61.717 62.100 -0.198 0.000 1.045 161 T CB 0.175 68.922 68.868 -0.203 0.000 0.917 161 T HN 0.317 nan 8.240 nan 0.000 0.484 162 V N 0.605 120.428 119.914 -0.151 0.000 3.085 162 V HA 0.680 4.797 4.120 -0.004 0.000 0.345 162 V C 0.836 176.916 176.094 -0.023 0.000 1.397 162 V CA -0.893 61.330 62.300 -0.129 0.000 1.165 162 V CB -0.803 30.806 31.823 -0.357 0.000 1.153 162 V HN 0.880 nan 8.190 nan 0.000 0.495 163 A N 0.419 123.282 122.820 0.072 0.000 2.483 163 A HA 0.585 4.902 4.320 -0.004 0.000 0.238 163 A C 0.028 177.711 177.584 0.165 0.000 1.070 163 A CA 0.167 52.320 52.037 0.193 0.000 0.770 163 A CB 0.605 19.825 19.000 0.366 0.000 1.008 163 A HN 0.808 nan 8.150 nan 0.000 0.497 164 V N 4.062 124.085 119.914 0.181 0.000 2.325 164 V HA 0.229 4.346 4.120 -0.004 0.000 0.280 164 V C -0.198 175.994 176.094 0.162 0.000 1.016 164 V CA -0.463 61.885 62.300 0.081 0.000 0.818 164 V CB 1.138 32.908 31.823 -0.089 0.000 1.019 164 V HN 0.623 nan 8.190 nan 0.000 0.434 165 V N 6.947 127.008 119.914 0.245 0.000 2.432 165 V HA 0.382 4.500 4.120 -0.004 0.000 0.271 165 V C 1.122 177.401 176.094 0.309 0.000 1.046 165 V CA -0.353 62.184 62.300 0.394 0.000 0.945 165 V CB 1.385 33.592 31.823 0.640 0.000 0.992 165 V HN 0.784 nan 8.190 nan 0.000 0.471 166 R N 2.070 122.722 120.500 0.252 0.000 2.307 166 R HA 0.255 4.592 4.340 -0.004 0.000 0.200 166 R C -0.048 176.378 176.300 0.210 0.000 0.893 166 R CA 0.042 56.253 56.100 0.185 0.000 1.042 166 R CB 0.422 30.806 30.300 0.140 0.000 1.059 166 R HN 0.665 nan 8.270 nan 0.000 0.530 167 D N 0.847 121.387 120.400 0.233 0.000 2.476 167 D HA 0.114 4.751 4.640 -0.004 0.000 0.251 167 D C -0.444 176.020 176.300 0.273 0.000 1.291 167 D CA -0.243 53.891 54.000 0.223 0.000 0.939 167 D CB 1.275 42.155 40.800 0.135 0.000 1.221 167 D HN -0.230 nan 8.370 nan 0.000 0.567 168 D N 2.248 122.815 120.400 0.279 0.000 2.378 168 D HA -0.019 4.619 4.640 -0.004 0.000 0.227 168 D C 1.657 178.086 176.300 0.215 0.000 1.012 168 D CA 0.253 54.398 54.000 0.242 0.000 0.905 168 D CB 0.285 41.194 40.800 0.182 0.000 0.895 168 D HN 0.409 nan 8.370 nan 0.000 0.532 169 R N -0.388 120.238 120.500 0.211 0.000 2.193 169 R HA -0.092 4.245 4.340 -0.004 0.000 0.229 169 R C 0.594 177.014 176.300 0.200 0.000 1.110 169 R CA 0.081 56.273 56.100 0.153 0.000 0.988 169 R CB -0.044 30.287 30.300 0.051 0.000 0.871 169 R HN 0.159 nan 8.270 nan 0.000 0.458 170 W N 1.237 122.560 121.300 0.039 0.000 2.251 170 W HA 0.068 4.727 4.660 -0.001 0.000 0.327 170 W C 1.148 177.691 176.519 0.039 0.000 1.361 170 W CA -0.677 56.692 57.345 0.041 0.000 1.234 170 W CB 0.429 29.925 29.460 0.060 0.000 1.212 170 W HN 0.057 nan 8.180 nan 0.000 0.557 171 G N 4.961 113.739 108.800 -0.036 0.000 2.708 171 G HA2 -0.187 3.770 3.960 -0.004 0.000 0.210 171 G HA3 -0.187 3.770 3.960 -0.004 0.000 0.210 171 G C 1.120 175.787 174.900 -0.389 0.000 1.141 171 G CA 0.191 45.185 45.100 -0.176 0.000 0.788 171 G HN 0.562 nan 8.290 nan 0.000 0.531 172 R N -0.271 119.544 120.500 -1.141 0.000 2.546 172 R HA 0.147 4.484 4.340 -0.004 0.000 0.320 172 R C 1.718 177.384 176.300 -1.057 0.000 1.021 172 R CA 0.132 55.420 56.100 -1.353 0.000 1.088 172 R CB 0.046 29.297 30.300 -1.749 0.000 1.278 172 R HN 0.096 nan 8.270 nan 0.000 0.557 173 T N 1.204 115.455 114.554 -0.504 0.000 2.699 173 T HA -0.229 4.118 4.350 -0.004 0.000 0.268 173 T C 1.503 176.062 174.700 -0.235 0.000 1.036 173 T CA 1.870 63.880 62.100 -0.150 0.000 1.147 173 T CB -0.311 68.539 68.868 -0.029 0.000 0.862 173 T HN 0.537 nan 8.240 nan 0.000 0.446 174 Y N 1.398 121.567 120.300 -0.219 0.000 2.509 174 Y HA 0.211 4.760 4.550 -0.003 0.000 0.293 174 Y C 1.727 177.499 175.900 -0.213 0.000 1.133 174 Y CA 0.189 58.150 58.100 -0.231 0.000 1.283 174 Y CB -0.819 37.480 38.460 -0.268 0.000 1.001 174 Y HN 0.246 nan 8.280 nan 0.000 0.555 175 E N 0.628 120.520 120.200 -0.513 0.000 2.482 175 E HA -0.012 4.336 4.350 -0.004 0.000 0.196 175 E C 0.414 176.878 176.600 -0.226 0.000 1.047 175 E CA 0.444 56.638 56.400 -0.343 0.000 0.869 175 E CB 0.133 29.558 29.700 -0.459 0.000 0.836 175 E HN 0.303 nan 8.360 nan 0.000 0.520 176 S N -0.717 114.926 115.700 -0.096 0.000 2.525 176 S HA 0.141 4.608 4.470 -0.004 0.000 0.290 176 S C 0.437 175.097 174.600 0.101 0.000 1.152 176 S CA -0.696 57.514 58.200 0.018 0.000 1.072 176 S CB 0.546 63.917 63.200 0.286 0.000 1.027 176 S HN 0.055 nan 8.310 nan 0.000 0.500 177 Y N 2.912 123.305 120.300 0.155 0.000 2.352 177 Y HA 0.212 4.759 4.550 -0.005 0.000 0.292 177 Y C 1.583 177.521 175.900 0.064 0.000 1.136 177 Y CA 0.781 58.943 58.100 0.102 0.000 1.227 177 Y CB -0.054 38.408 38.460 0.003 0.000 0.991 177 Y HN 0.613 nan 8.280 nan 0.000 0.545 178 S N -1.529 114.231 115.700 0.101 0.000 2.597 178 S HA 0.141 4.608 4.470 -0.004 0.000 0.274 178 S C 0.218 174.403 174.600 -0.691 0.000 1.132 178 S CA -0.400 57.547 58.200 -0.422 0.000 0.835 178 S CB 0.576 63.671 63.200 -0.175 0.000 1.092 178 S HN 0.390 nan 8.310 nan 0.000 0.457 179 E N 0.939 120.521 120.200 -1.030 0.000 2.435 179 E HA 0.031 4.379 4.350 -0.004 0.000 0.195 179 E C -0.109 176.297 176.600 -0.323 0.000 1.029 179 E CA 0.280 56.352 56.400 -0.546 0.000 0.865 179 E CB -0.010 29.443 29.700 -0.412 0.000 0.833 179 E HN 0.398 nan 8.360 nan 0.000 0.510 180 D N 1.934 122.154 120.400 -0.300 0.000 2.317 180 D HA 0.098 4.735 4.640 -0.004 0.000 0.234 180 D C -1.456 174.720 176.300 -0.207 0.000 1.112 180 D CA -2.905 50.917 54.000 -0.296 0.000 0.840 180 D CB 1.709 42.291 40.800 -0.363 0.000 1.078 180 D HN -0.185 nan 8.370 nan 0.000 0.486 181 P HA -0.136 nan 4.420 nan 0.000 0.218 181 P C 0.462 177.690 177.300 -0.120 0.000 1.148 181 P CA 0.832 63.834 63.100 -0.163 0.000 0.822 181 P CB 0.516 32.110 31.700 -0.176 0.000 0.784 182 D N -0.092 120.237 120.400 -0.118 0.000 2.117 182 D HA -0.106 4.532 4.640 -0.004 0.000 0.197 182 D C 2.141 178.392 176.300 -0.081 0.000 0.987 182 D CA 0.675 54.630 54.000 -0.076 0.000 0.829 182 D CB -0.849 39.909 40.800 -0.070 0.000 0.961 182 D HN 0.177 nan 8.370 nan 0.000 0.460 183 L N 0.558 121.713 121.223 -0.114 0.000 2.027 183 L HA -0.159 4.178 4.340 -0.004 0.000 0.206 183 L C 2.287 178.993 176.870 -0.272 0.000 1.074 183 L CA 0.875 55.586 54.840 -0.217 0.000 0.745 183 L CB -0.101 41.822 42.059 -0.225 0.000 0.898 183 L HN -0.114 nan 8.230 nan 0.000 0.433 184 V N 0.355 120.182 119.914 -0.144 0.000 2.324 184 V HA -0.368 3.750 4.120 -0.004 0.000 0.250 184 V C 2.580 178.669 176.094 -0.009 0.000 1.060 184 V CA 2.298 64.588 62.300 -0.016 0.000 1.042 184 V CB -0.776 31.061 31.823 0.025 0.000 0.650 184 V HN 0.509 nan 8.190 nan 0.000 0.450 185 K N 0.080 120.459 120.400 -0.035 0.000 2.063 185 K HA -0.214 4.103 4.320 -0.004 0.000 0.208 185 K C 2.409 179.028 176.600 0.031 0.000 1.048 185 K CA 1.626 57.915 56.287 0.003 0.000 0.928 185 K CB -0.154 32.362 32.500 0.027 0.000 0.713 185 K HN 0.346 nan 8.250 nan 0.000 0.442 186 R N -0.882 119.629 120.500 0.019 0.000 2.096 186 R HA -0.148 4.189 4.340 -0.004 0.000 0.235 186 R C 2.213 178.599 176.300 0.143 0.000 1.127 186 R CA 1.561 57.702 56.100 0.068 0.000 0.968 186 R CB -0.217 30.120 30.300 0.062 0.000 0.861 186 R HN 0.277 nan 8.270 nan 0.000 0.440 187 Y N -0.267 119.932 120.300 -0.168 0.000 2.269 187 Y HA 0.081 4.628 4.550 -0.004 0.000 0.294 187 Y C 2.326 178.121 175.900 -0.176 0.000 1.120 187 Y CA 0.245 58.169 58.100 -0.292 0.000 1.159 187 Y CB -0.752 37.291 38.460 -0.696 0.000 1.024 187 Y HN 0.046 nan 8.280 nan 0.000 0.532 188 A N 0.007 122.875 122.820 0.081 0.000 1.883 188 A HA -0.155 4.162 4.320 -0.004 0.000 0.217 188 A C 2.617 180.213 177.584 0.020 0.000 1.186 188 A CA 1.984 54.059 52.037 0.062 0.000 0.624 188 A CB -1.428 17.573 19.000 0.003 0.000 0.822 188 A HN 0.445 nan 8.150 nan 0.000 0.444 189 G N -0.624 108.189 108.800 0.022 0.000 2.422 189 G HA2 -0.151 3.806 3.960 -0.004 0.000 0.218 189 G HA3 -0.151 3.806 3.960 -0.004 0.000 0.218 189 G C 1.358 176.259 174.900 0.002 0.000 1.140 189 G CA 0.946 46.061 45.100 0.026 0.000 0.775 189 G HN 0.516 nan 8.290 nan 0.000 0.545 190 E N 0.002 120.181 120.200 -0.035 0.000 2.072 190 E HA -0.105 4.242 4.350 -0.004 0.000 0.191 190 E C 2.374 178.916 176.600 -0.096 0.000 0.985 190 E CA 0.880 57.230 56.400 -0.083 0.000 0.801 190 E CB -0.410 29.195 29.700 -0.158 0.000 0.750 190 E HN 0.400 nan 8.360 nan 0.000 0.452 191 M N 0.827 120.371 119.600 -0.093 0.000 2.117 191 M HA -0.113 4.364 4.480 -0.004 0.000 0.262 191 M C 2.201 178.478 176.300 -0.038 0.000 1.065 191 M CA 1.070 56.326 55.300 -0.073 0.000 1.114 191 M CB -0.433 32.161 32.600 -0.010 0.000 1.361 191 M HN -0.094 nan 8.290 nan 0.000 0.408 192 V N 0.053 119.965 119.914 -0.003 0.000 2.287 192 V HA -0.316 3.802 4.120 -0.004 0.000 0.248 192 V C 2.438 178.552 176.094 0.033 0.000 1.053 192 V CA 2.375 64.692 62.300 0.028 0.000 1.027 192 V CB -1.676 30.183 31.823 0.060 0.000 0.646 192 V HN 0.737 nan 8.190 nan 0.000 0.447 193 T N -1.628 112.944 114.554 0.029 0.000 2.867 193 T HA -0.058 4.289 4.350 -0.004 0.000 0.268 193 T C 1.977 176.670 174.700 -0.011 0.000 1.057 193 T CA 1.315 63.438 62.100 0.037 0.000 1.136 193 T CB -0.763 68.127 68.868 0.036 0.000 0.874 193 T HN 0.477 nan 8.240 nan 0.000 0.466 194 G N 1.564 110.333 108.800 -0.052 0.000 2.422 194 G HA2 -0.051 3.907 3.960 -0.004 0.000 0.218 194 G HA3 -0.051 3.907 3.960 -0.004 0.000 0.218 194 G C 1.530 176.372 174.900 -0.097 0.000 1.146 194 G CA 0.809 45.853 45.100 -0.094 0.000 0.769 194 G HN 0.574 nan 8.290 nan 0.000 0.547 195 I N -0.424 120.101 120.570 -0.074 0.000 2.333 195 I HA -0.067 4.101 4.170 -0.004 0.000 0.246 195 I C 2.740 178.830 176.117 -0.045 0.000 1.106 195 I CA 0.948 62.208 61.300 -0.066 0.000 1.411 195 I CB -0.137 37.837 38.000 -0.043 0.000 1.082 195 I HN 0.201 nan 8.210 nan 0.000 0.420 196 Q N 0.590 120.367 119.800 -0.038 0.000 2.384 196 Q HA 0.251 4.588 4.340 -0.004 0.000 0.207 196 Q C 0.613 176.541 176.000 -0.119 0.000 0.904 196 Q CA 0.355 56.099 55.803 -0.099 0.000 0.933 196 Q CB 1.002 29.663 28.738 -0.129 0.000 1.077 196 Q HN 0.548 nan 8.270 nan 0.000 0.522 197 G N 1.666 110.451 108.800 -0.025 0.000 2.712 197 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.686 197 G HA3 -0.164 3.793 3.960 -0.004 0.000 0.686 197 G C -1.092 173.897 174.900 0.148 0.000 1.321 197 G CA -0.766 44.353 45.100 0.031 0.000 0.813 197 G HN 0.126 nan 8.290 nan 0.000 0.599 198 D N -0.507 119.976 120.400 0.139 0.000 2.423 198 D HA 0.260 4.898 4.640 -0.004 0.000 0.238 198 D C 1.288 177.759 176.300 0.284 0.000 1.142 198 D CA 0.090 54.191 54.000 0.169 0.000 0.884 198 D CB 1.342 42.193 40.800 0.084 0.000 1.199 198 D HN 0.391 nan 8.370 nan 0.000 0.438 199 V N 1.641 121.661 119.914 0.176 0.000 2.584 199 V HA 0.350 4.468 4.120 -0.004 0.000 0.303 199 V C 1.202 177.289 176.094 -0.011 0.000 1.035 199 V CA 1.383 63.638 62.300 -0.076 0.000 1.172 199 V CB 0.166 31.880 31.823 -0.182 0.000 0.896 199 V HN 0.920 nan 8.190 nan 0.000 0.486 200 G N 3.907 112.697 108.800 -0.016 0.000 2.250 200 G HA2 0.308 4.266 3.960 -0.004 0.000 0.252 200 G HA3 0.308 4.266 3.960 -0.004 0.000 0.252 200 G C 0.522 175.472 174.900 0.084 0.000 1.325 200 G CA -0.201 44.914 45.100 0.026 0.000 1.091 200 G HN 1.065 nan 8.290 nan 0.000 0.476 201 A N -0.735 122.122 122.820 0.063 0.000 1.972 201 A HA 0.127 4.444 4.320 -0.004 0.000 0.219 201 A C 1.800 179.432 177.584 0.079 0.000 1.169 201 A CA 2.799 54.873 52.037 0.061 0.000 0.635 201 A CB -0.440 18.582 19.000 0.036 0.000 0.810 201 A HN 0.856 nan 8.150 nan 0.000 0.446 202 D N -2.073 118.380 120.400 0.088 0.000 2.340 202 D HA 0.041 4.679 4.640 -0.004 0.000 0.220 202 D C 0.246 176.608 176.300 0.103 0.000 1.039 202 D CA -0.477 53.565 54.000 0.070 0.000 0.866 202 D CB -0.375 40.452 40.800 0.046 0.000 0.913 202 D HN 0.319 nan 8.370 nan 0.000 0.523 203 F N 1.504 121.458 119.950 0.007 0.000 2.539 203 F HA -0.019 4.507 4.527 -0.003 0.000 0.393 203 F C 0.803 176.619 175.800 0.027 0.000 1.032 203 F CA 0.337 58.351 58.000 0.024 0.000 1.120 203 F CB 0.039 39.057 39.000 0.030 0.000 1.014 203 F HN 0.019 nan 8.300 nan 0.000 0.546 204 L N 2.949 123.914 121.223 -0.430 0.000 4.232 204 L HA -0.326 4.011 4.340 -0.004 0.000 0.415 204 L C -0.094 176.638 176.870 -0.231 0.000 1.168 204 L CA 0.340 54.998 54.840 -0.304 0.000 0.966 204 L CB -1.592 40.281 42.059 -0.310 0.000 2.052 204 L HN 0.500 nan 8.230 nan 0.000 0.887 205 K N 0.600 120.904 120.400 -0.161 0.000 2.095 205 K HA 0.700 5.017 4.320 -0.004 0.000 0.252 205 K C 1.115 177.635 176.600 -0.133 0.000 0.977 205 K CA 0.368 56.551 56.287 -0.174 0.000 0.900 205 K CB 1.452 33.901 32.500 -0.086 0.000 1.060 205 K HN 0.104 nan 8.250 nan 0.000 0.449 206 G N 1.240 109.956 108.800 -0.140 0.000 2.591 206 G HA2 -0.392 3.566 3.960 -0.004 0.000 0.298 206 G HA3 -0.392 3.566 3.960 -0.004 0.000 0.298 206 G C 0.832 175.747 174.900 0.025 0.000 1.195 206 G CA 0.874 45.950 45.100 -0.039 0.000 0.989 206 G HN 0.639 nan 8.290 nan 0.000 0.551 207 S N 1.005 116.747 115.700 0.071 0.000 2.562 207 S HA 0.128 4.596 4.470 -0.004 0.000 0.221 207 S C 0.851 175.493 174.600 0.070 0.000 0.975 207 S CA 0.840 59.106 58.200 0.109 0.000 0.918 207 S CB -0.167 63.036 63.200 0.005 0.000 0.772 207 S HN 0.699 nan 8.310 nan 0.000 0.531 208 N N 3.326 122.048 118.700 0.037 0.000 2.356 208 N HA 0.110 4.847 4.740 -0.004 0.000 0.252 208 N C 0.096 175.742 175.510 0.226 0.000 1.241 208 N CA 0.455 53.534 53.050 0.049 0.000 0.861 208 N CB 0.226 38.701 38.487 -0.020 0.000 1.075 208 N HN 0.360 nan 8.380 nan 0.000 0.461 209 R N 1.420 122.010 120.500 0.150 0.000 2.758 209 R HA 0.483 4.820 4.340 -0.004 0.000 0.265 209 R C 0.359 176.724 176.300 0.107 0.000 1.016 209 R CA -0.931 55.266 56.100 0.162 0.000 1.040 209 R CB 0.917 31.240 30.300 0.038 0.000 1.152 209 R HN 0.476 nan 8.270 nan 0.000 0.503 210 I N 1.408 121.991 120.570 0.020 0.000 2.556 210 I HA 0.120 4.287 4.170 -0.004 0.000 0.284 210 I C 0.640 176.888 176.117 0.219 0.000 1.114 210 I CA 0.156 61.484 61.300 0.048 0.000 1.418 210 I CB 0.904 38.834 38.000 -0.118 0.000 1.394 210 I HN 0.517 nan 8.210 nan 0.000 0.552 211 A N 4.801 127.731 122.820 0.183 0.000 2.311 211 A HA 0.811 5.128 4.320 -0.004 0.000 0.334 211 A C -0.356 177.395 177.584 0.279 0.000 1.139 211 A CA -0.436 51.739 52.037 0.231 0.000 0.830 211 A CB 1.185 20.254 19.000 0.115 0.000 1.234 211 A HN 0.624 nan 8.150 nan 0.000 0.483 212 T N 1.485 116.221 114.554 0.303 0.000 2.840 212 T HA 0.594 4.941 4.350 -0.004 0.000 0.287 212 T C -0.127 174.601 174.700 0.047 0.000 0.991 212 T CA 0.048 62.262 62.100 0.190 0.000 0.964 212 T CB 1.290 70.307 68.868 0.248 0.000 0.954 212 T HN 1.089 nan 8.240 nan 0.000 0.438 213 A N 4.390 127.202 122.820 -0.014 0.000 2.328 213 A HA 0.683 5.000 4.320 -0.004 0.000 0.284 213 A C 0.234 177.783 177.584 -0.060 0.000 1.160 213 A CA -0.570 51.423 52.037 -0.074 0.000 0.818 213 A CB 0.294 19.225 19.000 -0.116 0.000 1.087 213 A HN 0.807 nan 8.150 nan 0.000 0.504 214 K N 2.369 122.655 120.400 -0.190 0.000 2.443 214 K HA 0.677 4.995 4.320 -0.004 0.000 0.251 214 K C -1.586 174.889 176.600 -0.209 0.000 0.972 214 K CA -0.845 55.245 56.287 -0.328 0.000 0.833 214 K CB 1.481 33.425 32.500 -0.928 0.000 1.317 214 K HN 0.725 nan 8.250 nan 0.000 0.441 215 H N 0.268 119.451 119.070 0.188 0.000 2.524 215 H HA 0.342 4.895 4.556 -0.005 0.000 0.353 215 H C -1.636 173.828 175.328 0.227 0.000 1.136 215 H CA -0.569 55.589 56.048 0.184 0.000 1.193 215 H CB 1.469 31.297 29.762 0.109 0.000 1.558 215 H HN 0.494 nan 8.280 nan 0.000 0.515 216 F N 3.758 123.721 119.950 0.022 0.000 2.390 216 F HA 0.461 4.985 4.527 -0.005 0.000 0.361 216 F C -0.620 175.070 175.800 -0.183 0.000 1.124 216 F CA -0.155 57.674 58.000 -0.286 0.000 1.149 216 F CB 0.175 38.784 39.000 -0.652 0.000 1.160 216 F HN 0.315 nan 8.300 nan 0.000 0.501 217 V N 4.855 124.541 119.914 -0.379 0.000 3.204 217 V HA 0.633 4.751 4.120 -0.004 0.000 0.298 217 V C 0.026 175.899 176.094 -0.368 0.000 1.328 217 V CA 0.026 61.963 62.300 -0.605 0.000 1.035 217 V CB 1.697 32.616 31.823 -1.506 0.000 1.095 217 V HN 1.001 nan 8.190 nan 0.000 0.442 218 G N 3.637 112.248 108.800 -0.315 0.000 2.159 218 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.256 218 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.256 218 G C 0.382 175.022 174.900 -0.433 0.000 0.977 218 G CA 1.053 45.851 45.100 -0.503 0.000 0.652 218 G HN 1.406 nan 8.290 nan 0.000 0.531 219 D N 0.582 120.839 120.400 -0.238 0.000 2.263 219 D HA 0.050 4.687 4.640 -0.004 0.000 0.208 219 D C 1.985 177.845 176.300 -0.733 0.000 0.971 219 D CA 1.410 55.225 54.000 -0.308 0.000 0.867 219 D CB -1.034 39.761 40.800 -0.007 0.000 0.929 219 D HN 0.776 nan 8.370 nan 0.000 0.492 220 G N -0.450 108.115 108.800 -0.390 0.000 3.181 220 G HA2 0.293 4.250 3.960 -0.004 0.000 0.219 220 G HA3 0.293 4.250 3.960 -0.004 0.000 0.219 220 G C 1.042 175.861 174.900 -0.136 0.000 1.182 220 G CA 0.086 45.029 45.100 -0.262 0.000 0.791 220 G HN 0.455 nan 8.290 nan 0.000 0.537 221 G N 0.490 109.080 108.800 -0.350 0.000 3.969 221 G HA2 0.330 4.288 3.960 -0.004 0.000 0.291 221 G HA3 0.330 4.288 3.960 -0.004 0.000 0.291 221 G C 0.622 175.398 174.900 -0.208 0.000 1.016 221 G CA 0.315 45.298 45.100 -0.195 0.000 0.819 221 G HN 0.407 nan 8.290 nan 0.000 0.493 222 T N -1.464 112.908 114.554 -0.303 0.000 2.898 222 T HA 0.327 4.674 4.350 -0.004 0.000 0.301 222 T C 0.010 174.625 174.700 -0.142 0.000 1.049 222 T CA -0.459 61.503 62.100 -0.230 0.000 1.095 222 T CB 1.784 70.470 68.868 -0.303 0.000 0.976 222 T HN -0.034 nan 8.240 nan 0.000 0.539 223 E N 1.584 121.726 120.200 -0.097 0.000 2.417 223 E HA 0.045 4.392 4.350 -0.004 0.000 0.261 223 E C 0.933 177.484 176.600 -0.081 0.000 1.000 223 E CA 0.307 56.666 56.400 -0.068 0.000 0.919 223 E CB 0.238 29.904 29.700 -0.056 0.000 0.955 223 E HN 0.754 nan 8.360 nan 0.000 0.455 224 R N 1.788 122.242 120.500 -0.076 0.000 4.000 224 R HA -0.276 4.061 4.340 -0.004 0.000 0.348 224 R C 1.003 177.256 176.300 -0.078 0.000 1.204 224 R CA 0.616 56.650 56.100 -0.110 0.000 0.987 224 R CB -2.109 28.102 30.300 -0.147 0.000 1.446 224 R HN 0.875 nan 8.270 nan 0.000 0.555 225 G N -0.455 108.308 108.800 -0.062 0.000 2.160 225 G HA2 -0.321 3.636 3.960 -0.004 0.000 0.251 225 G HA3 -0.321 3.636 3.960 -0.004 0.000 0.251 225 G C 0.218 175.118 174.900 0.001 0.000 1.008 225 G CA 0.097 45.184 45.100 -0.022 0.000 0.724 225 G HN 0.256 nan 8.290 nan 0.000 0.514 226 V N 0.827 120.707 119.914 -0.056 0.000 2.529 226 V HA 0.249 4.366 4.120 -0.004 0.000 0.292 226 V C 0.918 177.012 176.094 0.000 0.000 1.028 226 V CA 0.113 62.416 62.300 0.004 0.000 1.074 226 V CB 1.279 33.080 31.823 -0.037 0.000 0.958 226 V HN 0.462 nan 8.190 nan 0.000 0.481 227 D N 5.017 125.559 120.400 0.237 0.000 2.401 227 D HA 0.149 4.786 4.640 -0.004 0.000 0.254 227 D C 0.986 177.371 176.300 0.142 0.000 1.192 227 D CA 0.307 54.556 54.000 0.415 0.000 0.885 227 D CB 0.091 41.252 40.800 0.603 0.000 1.147 227 D HN 0.575 nan 8.370 nan 0.000 0.478 228 R N 1.528 122.086 120.500 0.096 0.000 3.872 228 R HA -0.129 4.209 4.340 -0.004 0.000 0.341 228 R C 0.801 177.057 176.300 -0.074 0.000 1.172 228 R CA 0.501 56.594 56.100 -0.011 0.000 0.901 228 R CB -2.237 27.951 30.300 -0.187 0.000 1.422 228 R HN 0.530 nan 8.270 nan 0.000 0.523 229 G N 0.726 109.470 108.800 -0.093 0.000 2.504 229 G HA2 0.225 4.183 3.960 -0.004 0.000 0.257 229 G HA3 0.225 4.183 3.960 -0.004 0.000 0.257 229 G C -0.264 174.585 174.900 -0.084 0.000 1.451 229 G CA -0.197 44.845 45.100 -0.097 0.000 1.059 229 G HN 0.128 nan 8.290 nan 0.000 0.550 230 N N -0.783 117.871 118.700 -0.076 0.000 2.417 230 N HA 0.359 5.097 4.740 -0.004 0.000 0.274 230 N C -0.835 174.647 175.510 -0.045 0.000 0.987 230 N CA -0.333 52.690 53.050 -0.046 0.000 0.912 230 N CB 1.266 39.728 38.487 -0.041 0.000 1.177 230 N HN 0.186 nan 8.380 nan 0.000 0.490 231 T N 4.556 119.106 114.554 -0.006 0.000 2.747 231 T HA 0.281 4.628 4.350 -0.004 0.000 0.301 231 T C 0.330 175.093 174.700 0.105 0.000 0.952 231 T CA -0.329 61.778 62.100 0.012 0.000 0.983 231 T CB -0.148 68.705 68.868 -0.025 0.000 0.930 231 T HN 0.300 nan 8.240 nan 0.000 0.494 232 L N 5.688 126.939 121.223 0.047 0.000 2.302 232 L HA 0.612 4.949 4.340 -0.004 0.000 0.285 232 L C -0.144 176.783 176.870 0.096 0.000 1.090 232 L CA -0.237 54.627 54.840 0.039 0.000 0.866 232 L CB 0.065 42.125 42.059 0.001 0.000 1.244 232 L HN 0.584 nan 8.230 nan 0.000 0.435 233 I N 1.528 122.209 120.570 0.185 0.000 2.882 233 I HA 0.229 4.396 4.170 -0.004 0.000 0.298 233 I C -1.347 174.984 176.117 0.358 0.000 1.462 233 I CA -0.723 60.719 61.300 0.237 0.000 1.000 233 I CB 2.747 40.893 38.000 0.243 0.000 1.340 233 I HN 0.464 nan 8.210 nan 0.000 0.462 234 D N 3.894 124.451 120.400 0.261 0.000 2.383 234 D HA 0.085 4.722 4.640 -0.004 0.000 0.248 234 D C 0.660 177.210 176.300 0.415 0.000 1.170 234 D CA -0.231 53.949 54.000 0.299 0.000 0.977 234 D CB 0.782 41.677 40.800 0.158 0.000 1.120 234 D HN 0.629 nan 8.370 nan 0.000 0.481 235 E N -0.302 120.197 120.200 0.499 0.000 2.118 235 E HA -0.241 4.107 4.350 -0.004 0.000 0.195 235 E C 1.476 178.127 176.600 0.086 0.000 0.992 235 E CA 1.186 57.840 56.400 0.425 0.000 0.804 235 E CB 0.108 30.131 29.700 0.537 0.000 0.741 235 E HN 0.398 nan 8.360 nan 0.000 0.458 236 K N -0.701 119.721 120.400 0.037 0.000 2.097 236 K HA -0.088 4.229 4.320 -0.004 0.000 0.206 236 K C 2.103 178.642 176.600 -0.102 0.000 1.049 236 K CA 1.059 57.288 56.287 -0.096 0.000 0.933 236 K CB -0.152 32.321 32.500 -0.046 0.000 0.717 236 K HN 0.188 nan 8.250 nan 0.000 0.442 237 G N 1.310 110.107 108.800 -0.004 0.000 2.394 237 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.215 237 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.215 237 G C 1.416 176.326 174.900 0.018 0.000 1.165 237 G CA 0.199 45.303 45.100 0.008 0.000 0.784 237 G HN 0.090 nan 8.290 nan 0.000 0.535 238 L N 0.744 121.990 121.223 0.038 0.000 2.013 238 L HA -0.059 4.278 4.340 -0.004 0.000 0.212 238 L C 2.781 179.611 176.870 -0.067 0.000 1.073 238 L CA 2.278 57.110 54.840 -0.013 0.000 0.753 238 L CB -0.499 41.425 42.059 -0.224 0.000 0.890 238 L HN 0.249 nan 8.230 nan 0.000 0.432 239 R N -0.868 119.433 120.500 -0.331 0.000 2.070 239 R HA -0.157 4.180 4.340 -0.004 0.000 0.233 239 R C 1.821 177.998 176.300 -0.205 0.000 1.137 239 R CA 1.960 57.693 56.100 -0.611 0.000 0.945 239 R CB -0.274 29.281 30.300 -1.241 0.000 0.845 239 R HN 0.412 nan 8.270 nan 0.000 0.430 240 D N -0.214 120.082 120.400 -0.172 0.000 2.194 240 D HA -0.033 4.604 4.640 -0.004 0.000 0.204 240 D C 1.897 178.115 176.300 -0.136 0.000 0.964 240 D CA 1.048 54.990 54.000 -0.097 0.000 0.846 240 D CB 0.164 40.907 40.800 -0.096 0.000 0.962 240 D HN 0.346 nan 8.370 nan 0.000 0.490 241 I N -0.615 119.836 120.570 -0.199 0.000 2.729 241 I HA -0.073 4.095 4.170 -0.004 0.000 0.256 241 I C 1.572 177.433 176.117 -0.427 0.000 1.115 241 I CA 0.556 61.648 61.300 -0.348 0.000 1.446 241 I CB 0.036 37.754 38.000 -0.471 0.000 1.176 241 I HN -0.066 nan 8.210 nan 0.000 0.446 242 H N -0.741 118.251 119.070 -0.130 0.000 2.563 242 H HA 0.180 4.734 4.556 -0.005 0.000 0.264 242 H C 1.793 177.035 175.328 -0.143 0.000 0.957 242 H CA 0.423 56.393 56.048 -0.130 0.000 1.173 242 H CB 0.482 30.159 29.762 -0.141 0.000 1.420 242 H HN 0.063 nan 8.280 nan 0.000 0.551 243 S N -0.321 115.294 115.700 -0.141 0.000 2.539 243 S HA 0.199 4.666 4.470 -0.004 0.000 0.221 243 S C 2.082 176.232 174.600 -0.751 0.000 0.987 243 S CA 0.355 58.417 58.200 -0.231 0.000 0.929 243 S CB 0.576 63.759 63.200 -0.030 0.000 0.832 243 S HN 0.500 nan 8.310 nan 0.000 0.492 244 A N 1.852 124.283 122.820 -0.648 0.000 1.940 244 A HA -0.007 4.310 4.320 -0.004 0.000 0.219 244 A C 2.224 179.582 177.584 -0.377 0.000 1.176 244 A CA 1.851 53.517 52.037 -0.617 0.000 0.631 244 A CB -1.315 17.549 19.000 -0.226 0.000 0.814 244 A HN 0.511 nan 8.150 nan 0.000 0.446 245 G N -1.929 106.709 108.800 -0.271 0.000 2.422 245 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.218 245 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.218 245 G C 1.405 176.134 174.900 -0.285 0.000 1.146 245 G CA 1.139 46.100 45.100 -0.232 0.000 0.769 245 G HN 0.554 nan 8.290 nan 0.000 0.547 246 Y N -0.043 120.176 120.300 -0.135 0.000 2.352 246 Y HA 0.058 4.606 4.550 -0.004 0.000 0.292 246 Y C 2.434 178.405 175.900 0.118 0.000 1.136 246 Y CA 0.415 58.503 58.100 -0.020 0.000 1.227 246 Y CB -0.240 38.260 38.460 0.067 0.000 0.991 246 Y HN 0.135 nan 8.280 nan 0.000 0.545 247 F N -0.909 119.152 119.950 0.185 0.000 2.146 247 F HA -0.192 4.333 4.527 -0.004 0.000 0.298 247 F C 2.504 178.348 175.800 0.074 0.000 1.096 247 F CA 1.161 59.236 58.000 0.125 0.000 1.275 247 F CB -1.332 37.729 39.000 0.101 0.000 1.008 247 F HN -0.140 nan 8.300 nan 0.000 0.480 248 S N -0.088 115.747 115.700 0.225 0.000 2.395 248 S HA -0.000 4.467 4.470 -0.004 0.000 0.225 248 S C 2.355 177.011 174.600 0.094 0.000 1.027 248 S CA 0.790 59.068 58.200 0.129 0.000 0.965 248 S CB -0.579 62.671 63.200 0.083 0.000 0.812 248 S HN 0.310 nan 8.310 nan 0.000 0.482 249 A N 1.706 124.563 122.820 0.062 0.000 1.858 249 A HA -0.035 4.282 4.320 -0.004 0.000 0.216 249 A C 2.057 179.704 177.584 0.105 0.000 1.190 249 A CA 1.233 53.296 52.037 0.044 0.000 0.617 249 A CB -0.758 18.205 19.000 -0.062 0.000 0.827 249 A HN 0.459 nan 8.150 nan 0.000 0.443 250 I N -0.233 120.422 120.570 0.142 0.000 2.226 250 I HA -0.253 3.914 4.170 -0.004 0.000 0.245 250 I C 2.410 178.601 176.117 0.122 0.000 1.100 250 I CA 1.553 62.952 61.300 0.166 0.000 1.374 250 I CB -0.428 37.672 38.000 0.166 0.000 1.057 250 I HN 0.381 nan 8.210 nan 0.000 0.413 251 N N 0.729 119.492 118.700 0.105 0.000 2.104 251 N HA -0.214 4.523 4.740 -0.004 0.000 0.190 251 N C 1.669 177.217 175.510 0.064 0.000 1.024 251 N CA 1.375 54.466 53.050 0.069 0.000 0.853 251 N CB -0.034 38.498 38.487 0.074 0.000 1.008 251 N HN 0.214 nan 8.380 nan 0.000 0.424 252 Q N -0.528 119.323 119.800 0.086 0.000 2.466 252 Q HA 0.182 4.519 4.340 -0.004 0.000 0.210 252 Q C 0.681 176.771 176.000 0.150 0.000 0.961 252 Q CA 0.648 56.509 55.803 0.097 0.000 0.953 252 Q CB -0.239 28.557 28.738 0.098 0.000 1.011 252 Q HN 0.508 nan 8.270 nan 0.000 0.516 253 G N 0.578 109.465 108.800 0.145 0.000 2.149 253 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.235 253 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.235 253 G C 0.176 175.281 174.900 0.343 0.000 1.018 253 G CA 0.284 45.505 45.100 0.203 0.000 0.728 253 G HN 0.327 nan 8.290 nan 0.000 0.508 254 V N 0.407 120.483 119.914 0.269 0.000 2.720 254 V HA 0.095 4.212 4.120 -0.004 0.000 0.307 254 V C 1.624 177.911 176.094 0.322 0.000 1.071 254 V CA 1.230 63.676 62.300 0.242 0.000 1.199 254 V CB 1.221 33.131 31.823 0.145 0.000 0.900 254 V HN 0.479 nan 8.190 nan 0.000 0.494 255 Q N 3.454 123.392 119.800 0.230 0.000 2.269 255 Q HA 0.143 4.480 4.340 -0.004 0.000 0.201 255 Q C 0.807 176.827 176.000 0.033 0.000 0.946 255 Q CA 0.907 56.822 55.803 0.187 0.000 0.877 255 Q CB 0.439 29.266 28.738 0.148 0.000 0.963 255 Q HN 0.763 nan 8.270 nan 0.000 0.472 256 S N -0.690 114.970 115.700 -0.066 0.000 2.569 256 S HA 0.610 5.077 4.470 -0.004 0.000 0.280 256 S C -1.308 173.168 174.600 -0.206 0.000 1.111 256 S CA -0.654 57.295 58.200 -0.418 0.000 0.887 256 S CB 1.771 64.496 63.200 -0.791 0.000 1.095 256 S HN -0.116 nan 8.310 nan 0.000 0.476 257 V N 4.452 124.177 119.914 -0.314 0.000 2.588 257 V HA 0.530 4.647 4.120 -0.004 0.000 0.304 257 V C -0.298 175.668 176.094 -0.212 0.000 1.042 257 V CA -0.659 61.436 62.300 -0.342 0.000 0.877 257 V CB 1.846 33.207 31.823 -0.771 0.000 0.996 257 V HN 0.963 nan 8.190 nan 0.000 0.425 258 M N 4.150 123.668 119.600 -0.137 0.000 2.157 258 M HA 0.721 5.198 4.480 -0.004 0.000 0.354 258 M C 0.267 176.546 176.300 -0.033 0.000 1.170 258 M CA -0.346 54.891 55.300 -0.104 0.000 1.060 258 M CB 1.262 33.770 32.600 -0.154 0.000 1.615 258 M HN 0.837 nan 8.290 nan 0.000 0.460 259 A N 3.314 126.061 122.820 -0.122 0.000 2.366 259 A HA 0.526 4.843 4.320 -0.004 0.000 0.249 259 A C -0.059 177.469 177.584 -0.092 0.000 1.084 259 A CA -0.327 51.550 52.037 -0.267 0.000 0.794 259 A CB 0.199 18.730 19.000 -0.781 0.000 1.034 259 A HN 0.885 nan 8.150 nan 0.000 0.491 260 S N -0.252 115.432 115.700 -0.026 0.000 2.578 260 S HA 0.554 5.022 4.470 -0.004 0.000 0.283 260 S C 0.240 174.986 174.600 0.243 0.000 1.195 260 S CA -0.454 57.804 58.200 0.098 0.000 1.050 260 S CB 0.527 63.775 63.200 0.081 0.000 1.012 260 S HN 0.426 nan 8.310 nan 0.000 0.511 261 F N 2.051 122.102 119.950 0.169 0.000 2.216 261 F HA -0.021 4.503 4.527 -0.005 0.000 0.300 261 F C 1.690 177.501 175.800 0.019 0.000 1.085 261 F CA 0.496 58.533 58.000 0.063 0.000 1.326 261 F CB -0.633 38.364 39.000 -0.004 0.000 1.027 261 F HN 0.694 nan 8.300 nan 0.000 0.497 262 N N 0.171 118.986 118.700 0.192 0.000 2.354 262 N HA -0.009 4.729 4.740 -0.004 0.000 0.246 262 N C -0.168 175.398 175.510 0.094 0.000 1.285 262 N CA -0.001 53.092 53.050 0.072 0.000 0.925 262 N CB 0.555 39.024 38.487 -0.030 0.000 1.174 262 N HN -0.089 nan 8.380 nan 0.000 0.478 263 S N -1.029 114.709 115.700 0.063 0.000 2.617 263 S HA 0.312 4.779 4.470 -0.004 0.000 0.283 263 S C -1.048 173.651 174.600 0.164 0.000 1.189 263 S CA -0.689 57.573 58.200 0.104 0.000 1.036 263 S CB 0.620 63.853 63.200 0.055 0.000 1.014 263 S HN 0.690 nan 8.310 nan 0.000 0.522 264 W N 3.069 124.361 121.300 -0.013 0.000 2.411 264 W HA 0.424 5.081 4.660 -0.004 0.000 0.317 264 W C -0.474 176.045 176.519 -0.001 0.000 1.030 264 W CA -1.059 56.274 57.345 -0.020 0.000 1.239 264 W CB -0.225 29.232 29.460 -0.005 0.000 1.304 264 W HN 0.736 nan 8.180 nan 0.000 0.437 265 N N 4.349 122.857 118.700 -0.320 0.000 2.707 265 N HA -0.212 4.525 4.740 -0.004 0.000 0.253 265 N C 0.970 176.343 175.510 -0.227 0.000 0.998 265 N CA 2.261 55.089 53.050 -0.370 0.000 0.751 265 N CB -1.276 36.811 38.487 -0.666 0.000 0.920 265 N HN 1.280 nan 8.380 nan 0.000 0.539 266 G N -1.466 107.270 108.800 -0.107 0.000 2.213 266 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.236 266 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.236 266 G C -0.180 174.708 174.900 -0.020 0.000 0.991 266 G CA 0.519 45.582 45.100 -0.062 0.000 0.629 266 G HN 0.616 nan 8.290 nan 0.000 0.517 267 K N 1.073 121.473 120.400 -0.001 0.000 2.206 267 K HA 0.665 4.983 4.320 -0.004 0.000 0.264 267 K C -0.035 176.641 176.600 0.127 0.000 0.967 267 K CA -1.121 55.203 56.287 0.062 0.000 0.844 267 K CB 1.820 34.359 32.500 0.066 0.000 1.099 267 K HN 0.036 nan 8.250 nan 0.000 0.441 268 R N 1.744 122.326 120.500 0.137 0.000 2.537 268 R HA -0.021 4.316 4.340 -0.004 0.000 0.281 268 R C 1.230 177.659 176.300 0.215 0.000 0.988 268 R CA -0.005 56.204 56.100 0.182 0.000 1.077 268 R CB 0.092 30.516 30.300 0.206 0.000 0.932 268 R HN 0.528 nan 8.270 nan 0.000 0.409 269 V N 3.007 123.056 119.914 0.225 0.000 2.490 269 V HA -0.229 3.888 4.120 -0.004 0.000 0.250 269 V C 1.646 177.836 176.094 0.159 0.000 1.061 269 V CA 1.738 64.146 62.300 0.180 0.000 1.064 269 V CB -0.714 31.171 31.823 0.103 0.000 0.670 269 V HN 0.703 nan 8.190 nan 0.000 0.461 270 H N 0.185 119.334 119.070 0.131 0.000 2.521 270 H HA 0.045 4.599 4.556 -0.005 0.000 0.286 270 H C 2.084 177.491 175.328 0.132 0.000 1.034 270 H CA 1.330 57.456 56.048 0.129 0.000 1.278 270 H CB -0.097 29.759 29.762 0.156 0.000 1.386 270 H HN 0.465 nan 8.280 nan 0.000 0.567 271 G N -1.075 107.867 108.800 0.237 0.000 3.393 271 G HA2 -0.048 3.909 3.960 -0.004 0.000 0.255 271 G HA3 -0.048 3.909 3.960 -0.004 0.000 0.255 271 G C -0.223 174.764 174.900 0.145 0.000 1.097 271 G CA -0.200 45.005 45.100 0.176 0.000 0.780 271 G HN 0.162 nan 8.290 nan 0.000 0.540 272 D N 0.893 121.384 120.400 0.150 0.000 2.456 272 D HA 0.182 4.819 4.640 -0.004 0.000 0.219 272 D C 1.234 177.614 176.300 0.133 0.000 1.126 272 D CA -0.363 53.737 54.000 0.167 0.000 0.890 272 D CB 1.189 42.127 40.800 0.231 0.000 1.025 272 D HN 0.101 nan 8.370 nan 0.000 0.511 273 K N 2.698 123.171 120.400 0.122 0.000 2.147 273 K HA -0.239 4.078 4.320 -0.004 0.000 0.205 273 K C 1.603 178.254 176.600 0.086 0.000 1.049 273 K CA 1.030 57.369 56.287 0.086 0.000 0.936 273 K CB 0.009 32.559 32.500 0.084 0.000 0.722 273 K HN 0.454 nan 8.250 nan 0.000 0.446 274 H N 0.540 119.653 119.070 0.071 0.000 2.352 274 H HA -0.096 4.457 4.556 -0.004 0.000 0.299 274 H C 1.780 177.112 175.328 0.007 0.000 1.097 274 H CA 2.020 58.109 56.048 0.068 0.000 1.311 274 H CB -0.076 29.776 29.762 0.150 0.000 1.377 274 H HN 0.131 nan 8.280 nan 0.000 0.504 275 L N -0.507 120.686 121.223 -0.050 0.000 2.023 275 L HA -0.098 4.239 4.340 -0.004 0.000 0.205 275 L C 2.392 179.173 176.870 -0.149 0.000 1.073 275 L CA 1.034 55.797 54.840 -0.127 0.000 0.745 275 L CB -0.277 41.804 42.059 0.036 0.000 0.900 275 L HN 0.314 nan 8.230 nan 0.000 0.435 276 L N -1.468 119.694 121.223 -0.103 0.000 2.341 276 L HA -0.052 4.286 4.340 -0.004 0.000 0.214 276 L C 2.122 178.883 176.870 -0.183 0.000 1.115 276 L CA 0.749 55.481 54.840 -0.179 0.000 0.820 276 L CB -0.371 41.630 42.059 -0.097 0.000 0.944 276 L HN 0.268 nan 8.230 nan 0.000 0.452 277 T N -1.953 112.522 114.554 -0.133 0.000 3.156 277 T HA -0.076 4.271 4.350 -0.004 0.000 0.236 277 T C 1.294 175.909 174.700 -0.142 0.000 0.978 277 T CA 0.593 62.630 62.100 -0.105 0.000 1.240 277 T CB 0.121 68.966 68.868 -0.038 0.000 0.951 277 T HN 0.160 nan 8.240 nan 0.000 0.420 278 D N 0.929 121.236 120.400 -0.155 0.000 2.097 278 D HA -0.085 4.553 4.640 -0.004 0.000 0.195 278 D C 2.042 178.164 176.300 -0.297 0.000 0.989 278 D CA 0.992 54.892 54.000 -0.166 0.000 0.827 278 D CB -0.128 40.617 40.800 -0.091 0.000 0.966 278 D HN 0.090 nan 8.370 nan 0.000 0.456 279 V N 0.222 119.816 119.914 -0.533 0.000 2.239 279 V HA -0.135 3.982 4.120 -0.004 0.000 0.242 279 V C 2.397 178.187 176.094 -0.507 0.000 1.038 279 V CA 1.403 63.272 62.300 -0.718 0.000 1.002 279 V CB -0.665 30.452 31.823 -1.176 0.000 0.641 279 V HN 0.269 nan 8.190 nan 0.000 0.449 280 L N -0.035 120.869 121.223 -0.531 0.000 2.017 280 L HA -0.152 4.186 4.340 -0.004 0.000 0.208 280 L C 2.291 179.004 176.870 -0.261 0.000 1.073 280 L CA 2.077 56.562 54.840 -0.592 0.000 0.745 280 L CB -0.589 40.909 42.059 -0.936 0.000 0.894 280 L HN 0.245 nan 8.230 nan 0.000 0.432 281 K N -1.313 118.981 120.400 -0.177 0.000 2.141 281 K HA 0.068 4.385 4.320 -0.004 0.000 0.202 281 K C 1.841 178.423 176.600 -0.031 0.000 1.045 281 K CA 0.884 57.134 56.287 -0.061 0.000 0.971 281 K CB -0.126 32.348 32.500 -0.043 0.000 0.795 281 K HN 0.240 nan 8.250 nan 0.000 0.459 282 N N 1.265 119.937 118.700 -0.046 0.000 2.173 282 N HA -0.098 4.639 4.740 -0.004 0.000 0.184 282 N C 1.804 177.347 175.510 0.055 0.000 1.025 282 N CA 1.296 54.351 53.050 0.009 0.000 0.852 282 N CB -0.044 38.443 38.487 -0.000 0.000 0.998 282 N HN 0.250 nan 8.380 nan 0.000 0.427 283 Q N 0.146 119.949 119.800 0.005 0.000 2.134 283 Q HA 0.193 4.531 4.340 -0.004 0.000 0.195 283 Q C 2.110 178.180 176.000 0.116 0.000 0.958 283 Q CA 0.524 56.379 55.803 0.085 0.000 0.840 283 Q CB 0.079 28.858 28.738 0.068 0.000 0.918 283 Q HN 0.251 nan 8.270 nan 0.000 0.467 284 L N -0.555 120.673 121.223 0.008 0.000 2.217 284 L HA 0.043 4.380 4.340 -0.004 0.000 0.211 284 L C 1.364 178.103 176.870 -0.219 0.000 1.107 284 L CA 0.843 55.674 54.840 -0.016 0.000 0.783 284 L CB -0.261 41.815 42.059 0.029 0.000 0.919 284 L HN 0.528 nan 8.230 nan 0.000 0.442 285 G N -0.304 108.420 108.800 -0.127 0.000 2.157 285 G HA2 -0.342 3.615 3.960 -0.004 0.000 0.248 285 G HA3 -0.342 3.615 3.960 -0.004 0.000 0.248 285 G C 0.274 175.112 174.900 -0.102 0.000 0.979 285 G CA -0.137 44.855 45.100 -0.180 0.000 0.650 285 G HN 0.187 nan 8.290 nan 0.000 0.529 286 F N 1.856 121.687 119.950 -0.197 0.000 2.548 286 F HA 0.342 4.867 4.527 -0.005 0.000 0.403 286 F C 0.992 176.740 175.800 -0.086 0.000 1.004 286 F CA 0.618 58.529 58.000 -0.147 0.000 1.177 286 F CB 0.657 39.539 39.000 -0.196 0.000 0.974 286 F HN 0.079 nan 8.300 nan 0.000 0.541 287 D N 3.486 123.545 120.400 -0.569 0.000 2.398 287 D HA 0.206 4.844 4.640 -0.004 0.000 0.210 287 D C 0.997 176.907 176.300 -0.651 0.000 1.094 287 D CA 0.618 54.347 54.000 -0.452 0.000 0.839 287 D CB 0.085 40.773 40.800 -0.186 0.000 0.963 287 D HN 0.627 nan 8.370 nan 0.000 0.506 288 G N -0.400 107.529 108.800 -1.452 0.000 2.574 288 G HA2 0.440 4.397 3.960 -0.004 0.000 0.248 288 G HA3 0.440 4.397 3.960 -0.004 0.000 0.248 288 G C -0.413 174.146 174.900 -0.568 0.000 1.422 288 G CA -0.623 43.955 45.100 -0.869 0.000 1.051 288 G HN 0.194 nan 8.290 nan 0.000 0.560 289 F N -1.374 118.538 119.950 -0.064 0.000 2.522 289 F HA 0.736 5.260 4.527 -0.005 0.000 0.324 289 F C -0.550 175.424 175.800 0.290 0.000 1.077 289 F CA -1.514 56.549 58.000 0.106 0.000 0.944 289 F CB 1.811 40.868 39.000 0.094 0.000 1.175 289 F HN 0.232 nan 8.300 nan 0.000 0.468 290 V N 4.344 124.421 119.914 0.272 0.000 2.465 290 V HA 0.452 4.569 4.120 -0.004 0.000 0.279 290 V C -0.351 175.837 176.094 0.156 0.000 1.045 290 V CA -0.764 61.597 62.300 0.102 0.000 0.938 290 V CB 1.222 33.058 31.823 0.022 0.000 0.986 290 V HN 0.826 nan 8.190 nan 0.000 0.467 291 V N 5.476 125.443 119.914 0.088 0.000 2.581 291 V HA 0.659 4.776 4.120 -0.004 0.000 0.303 291 V C 0.455 176.580 176.094 0.052 0.000 1.041 291 V CA -0.158 62.227 62.300 0.142 0.000 0.907 291 V CB 2.450 34.431 31.823 0.264 0.000 0.994 291 V HN 1.082 nan 8.190 nan 0.000 0.442 292 S N 4.498 120.260 115.700 0.102 0.000 2.624 292 S HA 0.365 4.833 4.470 -0.004 0.000 0.263 292 S C -0.088 174.609 174.600 0.162 0.000 1.287 292 S CA -0.520 57.823 58.200 0.238 0.000 0.990 292 S CB 1.232 64.628 63.200 0.327 0.000 0.950 292 S HN 0.831 nan 8.310 nan 0.000 0.561 293 D N -0.312 120.211 120.400 0.205 0.000 2.451 293 D HA 0.102 4.739 4.640 -0.004 0.000 0.259 293 D C -0.501 175.890 176.300 0.152 0.000 1.201 293 D CA -0.718 53.265 54.000 -0.028 0.000 1.028 293 D CB 0.484 40.923 40.800 -0.601 0.000 1.095 293 D HN 0.705 nan 8.370 nan 0.000 0.539 294 W N 2.306 123.711 121.300 0.175 0.000 2.692 294 W HA -0.038 4.619 4.660 -0.005 0.000 0.339 294 W C -0.025 176.694 176.519 0.332 0.000 1.415 294 W CA -0.063 57.456 57.345 0.290 0.000 1.389 294 W CB -0.883 28.789 29.460 0.353 0.000 1.492 294 W HN 0.433 nan 8.180 nan 0.000 0.545 295 N N 3.001 121.806 118.700 0.175 0.000 2.696 295 N HA -0.265 4.472 4.740 -0.004 0.000 0.249 295 N C 1.020 176.594 175.510 0.106 0.000 1.090 295 N CA 1.298 54.383 53.050 0.058 0.000 0.716 295 N CB -1.416 37.097 38.487 0.042 0.000 1.020 295 N HN 0.519 nan 8.380 nan 0.000 0.548 296 A N 0.412 123.373 122.820 0.235 0.000 2.014 296 A HA -0.170 4.148 4.320 -0.004 0.000 0.218 296 A C 1.909 179.513 177.584 0.034 0.000 1.163 296 A CA 1.526 53.682 52.037 0.197 0.000 0.652 296 A CB -0.633 18.009 19.000 -0.597 0.000 0.808 296 A HN 0.721 nan 8.150 nan 0.000 0.449 297 H N 1.045 120.124 119.070 0.015 0.000 2.457 297 H HA -0.186 4.367 4.556 -0.005 0.000 0.297 297 H C 1.568 176.935 175.328 0.067 0.000 1.092 297 H CA 1.614 57.712 56.048 0.083 0.000 1.309 297 H CB -0.496 29.332 29.762 0.111 0.000 1.382 297 H HN 0.678 nan 8.280 nan 0.000 0.535 298 K N 0.362 120.433 120.400 -0.549 0.000 2.439 298 K HA -0.040 4.277 4.320 -0.004 0.000 0.197 298 K C 0.921 177.258 176.600 -0.438 0.000 1.041 298 K CA 0.872 56.845 56.287 -0.522 0.000 0.970 298 K CB -0.245 31.810 32.500 -0.742 0.000 0.773 298 K HN 0.184 nan 8.250 nan 0.000 0.479 299 F N 1.693 121.607 119.950 -0.059 0.000 2.776 299 F HA 0.099 4.623 4.527 -0.005 0.000 0.300 299 F C 1.002 176.819 175.800 0.028 0.000 1.116 299 F CA -0.522 57.469 58.000 -0.014 0.000 1.375 299 F CB 0.466 39.465 39.000 -0.001 0.000 1.109 299 F HN -0.104 nan 8.300 nan 0.000 0.585 300 V N -0.445 119.579 119.914 0.183 0.000 2.732 300 V HA 0.220 4.338 4.120 -0.004 0.000 0.297 300 V C 0.356 176.513 176.094 0.105 0.000 1.060 300 V CA -1.075 61.323 62.300 0.164 0.000 1.038 300 V CB 1.291 33.230 31.823 0.193 0.000 1.003 300 V HN 0.233 nan 8.190 nan 0.000 0.481 301 E N 3.447 123.702 120.200 0.092 0.000 2.585 301 E HA 0.321 4.668 4.350 -0.004 0.000 0.252 301 E C 1.233 177.863 176.600 0.050 0.000 0.981 301 E CA 1.050 57.486 56.400 0.060 0.000 0.943 301 E CB -0.076 29.656 29.700 0.052 0.000 0.923 301 E HN 1.582 nan 8.360 nan 0.000 0.486 302 G N 3.108 111.926 108.800 0.031 0.000 2.195 302 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.246 302 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.246 302 G C 0.226 175.138 174.900 0.021 0.000 0.984 302 G CA 0.056 45.169 45.100 0.021 0.000 0.633 302 G HN 0.636 nan 8.290 nan 0.000 0.525 303 c N 1.321 119.943 118.600 0.037 0.000 2.335 303 c HA 0.827 5.395 4.570 -0.004 0.000 0.363 303 c C 0.401 174.496 174.090 0.009 0.000 1.198 303 c CA 0.341 56.704 56.329 0.057 0.000 2.279 303 c CB 1.224 43.813 42.510 0.131 0.000 2.334 303 c HN 0.808 nan 8.230 nan 0.000 0.559 304 D N -1.025 119.395 120.400 0.034 0.000 2.812 304 D HA 0.293 4.931 4.640 -0.004 0.000 0.318 304 D C 0.447 176.754 176.300 0.012 0.000 1.234 304 D CA -0.830 53.137 54.000 -0.054 0.000 0.989 304 D CB 0.070 40.824 40.800 -0.077 0.000 1.442 304 D HN 0.220 nan 8.370 nan 0.000 0.537 305 L N -0.661 120.475 121.223 -0.144 0.000 2.129 305 L HA -0.141 4.196 4.340 -0.004 0.000 0.212 305 L C 1.622 178.638 176.870 0.244 0.000 1.087 305 L CA 1.647 56.409 54.840 -0.130 0.000 0.757 305 L CB -0.389 41.298 42.059 -0.621 0.000 0.896 305 L HN 0.482 nan 8.230 nan 0.000 0.434 306 E N -1.702 118.585 120.200 0.145 0.000 2.481 306 E HA 0.053 4.400 4.350 -0.004 0.000 0.198 306 E C 0.463 177.073 176.600 0.017 0.000 1.027 306 E CA -0.129 56.391 56.400 0.200 0.000 0.900 306 E CB 0.593 30.336 29.700 0.071 0.000 0.993 306 E HN 0.140 nan 8.360 nan 0.000 0.482 307 Q N 0.579 120.378 119.800 -0.002 0.000 2.284 307 Q HA 0.257 4.595 4.340 -0.004 0.000 0.269 307 Q C -1.934 174.046 176.000 -0.033 0.000 1.026 307 Q CA -0.475 55.145 55.803 -0.305 0.000 0.831 307 Q CB 1.986 30.612 28.738 -0.187 0.000 1.322 307 Q HN 0.144 nan 8.270 nan 0.000 0.419 308 c N 3.919 122.450 118.600 -0.115 0.000 3.319 308 c HA 0.603 5.170 4.570 -0.004 0.000 0.258 308 c C 1.259 175.410 174.090 0.101 0.000 1.068 308 c CA 0.471 56.891 56.329 0.150 0.000 1.193 308 c CB -0.568 42.183 42.510 0.402 0.000 1.770 308 c HN 0.901 nan 8.230 nan 0.000 0.604 309 A N 2.119 124.940 122.820 0.001 0.000 1.940 309 A HA -0.214 4.103 4.320 -0.004 0.000 0.219 309 A C 2.173 179.794 177.584 0.061 0.000 1.176 309 A CA 2.108 54.153 52.037 0.013 0.000 0.631 309 A CB -0.225 18.764 19.000 -0.018 0.000 0.814 309 A HN 0.885 nan 8.150 nan 0.000 0.446 310 Q N -0.144 119.702 119.800 0.076 0.000 2.124 310 Q HA -0.133 4.205 4.340 -0.004 0.000 0.202 310 Q C 2.179 178.249 176.000 0.116 0.000 0.977 310 Q CA 1.706 57.562 55.803 0.088 0.000 0.850 310 Q CB -0.938 27.853 28.738 0.088 0.000 0.901 310 Q HN 0.604 nan 8.270 nan 0.000 0.429 311 A N 1.489 124.404 122.820 0.158 0.000 1.898 311 A HA -0.073 4.244 4.320 -0.004 0.000 0.216 311 A C 2.281 179.947 177.584 0.137 0.000 1.181 311 A CA 1.048 53.194 52.037 0.181 0.000 0.620 311 A CB -0.632 18.524 19.000 0.259 0.000 0.819 311 A HN 0.291 nan 8.150 nan 0.000 0.442 312 I N 0.220 120.870 120.570 0.133 0.000 2.142 312 I HA -0.277 3.890 4.170 -0.004 0.000 0.240 312 I C 2.009 178.170 176.117 0.073 0.000 1.078 312 I CA 1.312 62.673 61.300 0.102 0.000 1.343 312 I CB -0.459 37.603 38.000 0.102 0.000 1.046 312 I HN 0.281 nan 8.210 nan 0.000 0.405 313 N N 1.040 119.780 118.700 0.067 0.000 2.272 313 N HA -0.136 4.602 4.740 -0.004 0.000 0.185 313 N C 1.707 177.249 175.510 0.054 0.000 1.014 313 N CA 1.487 54.569 53.050 0.053 0.000 0.870 313 N CB -0.325 38.191 38.487 0.047 0.000 0.975 313 N HN 0.385 nan 8.380 nan 0.000 0.433 314 A N -0.503 122.356 122.820 0.066 0.000 2.119 314 A HA 0.349 4.666 4.320 -0.004 0.000 0.216 314 A C 1.546 179.149 177.584 0.032 0.000 1.152 314 A CA 1.283 53.356 52.037 0.060 0.000 0.708 314 A CB -0.067 18.982 19.000 0.080 0.000 0.805 314 A HN 0.351 nan 8.150 nan 0.000 0.460 315 G N -2.293 106.527 108.800 0.033 0.000 2.273 315 G HA2 -0.075 3.882 3.960 -0.004 0.000 0.162 315 G HA3 -0.075 3.882 3.960 -0.004 0.000 0.162 315 G C 0.011 174.925 174.900 0.024 0.000 1.006 315 G CA -0.101 45.008 45.100 0.015 0.000 0.704 315 G HN 0.562 nan 8.290 nan 0.000 0.487 316 V N 1.710 121.649 119.914 0.043 0.000 2.572 316 V HA 0.316 4.433 4.120 -0.004 0.000 0.291 316 V C 0.845 176.984 176.094 0.075 0.000 1.039 316 V CA 0.671 63.006 62.300 0.058 0.000 1.055 316 V CB 1.461 33.337 31.823 0.088 0.000 0.969 316 V HN 0.272 nan 8.190 nan 0.000 0.482 317 D N 2.204 122.660 120.400 0.093 0.000 2.431 317 D HA 0.112 4.749 4.640 -0.004 0.000 0.227 317 D C 0.345 176.647 176.300 0.004 0.000 1.030 317 D CA 0.750 54.800 54.000 0.084 0.000 0.897 317 D CB 1.355 42.250 40.800 0.159 0.000 1.058 317 D HN 0.435 nan 8.370 nan 0.000 0.500 318 V N 0.967 120.891 119.914 0.018 0.000 2.638 318 V HA 0.409 4.526 4.120 -0.004 0.000 0.306 318 V C -1.411 174.674 176.094 -0.015 0.000 1.052 318 V CA -0.822 61.431 62.300 -0.079 0.000 0.885 318 V CB 2.303 33.921 31.823 -0.342 0.000 0.999 318 V HN -0.150 nan 8.190 nan 0.000 0.424 319 I N 6.976 127.489 120.570 -0.095 0.000 2.312 319 I HA 0.340 4.507 4.170 -0.004 0.000 0.290 319 I C 0.273 176.258 176.117 -0.220 0.000 1.008 319 I CA -0.259 60.923 61.300 -0.197 0.000 1.226 319 I CB 1.605 39.322 38.000 -0.471 0.000 1.371 319 I HN 0.799 nan 8.210 nan 0.000 0.468 320 M N 8.359 127.884 119.600 -0.124 0.000 2.557 320 M HA 0.205 4.683 4.480 -0.004 0.000 0.328 320 M C -0.917 175.260 176.300 -0.205 0.000 1.423 320 M CA -0.192 55.032 55.300 -0.127 0.000 1.418 320 M CB -0.101 32.482 32.600 -0.029 0.000 1.381 320 M HN 0.361 nan 8.290 nan 0.000 0.467 321 V N 6.266 126.005 119.914 -0.292 0.000 2.225 321 V HA 0.302 4.420 4.120 -0.004 0.000 0.264 321 V C -1.858 174.106 176.094 -0.216 0.000 1.067 321 V CA -1.241 60.913 62.300 -0.244 0.000 0.903 321 V CB -0.186 31.433 31.823 -0.341 0.000 1.136 321 V HN 0.624 nan 8.190 nan 0.000 0.456 322 P HA -0.200 nan 4.420 nan 0.000 0.216 322 P C 1.161 178.350 177.300 -0.184 0.000 1.153 322 P CA 1.619 64.478 63.100 -0.403 0.000 0.858 322 P CB 0.802 31.949 31.700 -0.920 0.000 0.789 323 E N -1.766 118.194 120.200 -0.400 0.000 2.332 323 E HA -0.044 4.304 4.350 -0.004 0.000 0.202 323 E C 0.844 177.085 176.600 -0.599 0.000 0.877 323 E CA 0.094 56.026 56.400 -0.780 0.000 0.979 323 E CB 0.043 28.974 29.700 -1.283 0.000 0.969 323 E HN 0.257 nan 8.360 nan 0.000 0.495 324 H N 0.028 118.958 119.070 -0.232 0.000 2.537 324 H HA 0.114 4.668 4.556 -0.004 0.000 0.295 324 H C 0.794 176.009 175.328 -0.188 0.000 1.054 324 H CA 0.180 56.103 56.048 -0.209 0.000 1.156 324 H CB -0.227 29.501 29.762 -0.056 0.000 1.468 324 H HN 0.272 nan 8.280 nan 0.000 0.551 325 F N 0.061 119.952 119.950 -0.097 0.000 2.161 325 F HA -0.133 4.392 4.527 -0.004 0.000 0.300 325 F C 2.048 177.838 175.800 -0.017 0.000 1.089 325 F CA 1.146 59.055 58.000 -0.151 0.000 1.282 325 F CB -0.329 38.399 39.000 -0.455 0.000 1.010 325 F HN 0.169 nan 8.300 nan 0.000 0.485 326 E N 0.916 120.805 120.200 -0.518 0.000 2.047 326 E HA -0.111 4.237 4.350 -0.004 0.000 0.191 326 E C 2.400 179.025 176.600 0.042 0.000 0.987 326 E CA 1.039 57.296 56.400 -0.238 0.000 0.799 326 E CB -0.322 29.210 29.700 -0.279 0.000 0.752 326 E HN 0.429 nan 8.360 nan 0.000 0.449 327 A N 0.363 123.220 122.820 0.061 0.000 1.898 327 A HA -0.156 4.162 4.320 -0.004 0.000 0.216 327 A C 2.003 179.681 177.584 0.155 0.000 1.181 327 A CA 1.044 53.173 52.037 0.154 0.000 0.620 327 A CB -0.865 18.200 19.000 0.109 0.000 0.819 327 A HN 0.481 nan 8.150 nan 0.000 0.442 328 F N -0.949 119.019 119.950 0.030 0.000 2.161 328 F HA -0.227 4.298 4.527 -0.003 0.000 0.300 328 F C 2.129 177.944 175.800 0.025 0.000 1.089 328 F CA 2.092 60.099 58.000 0.012 0.000 1.282 328 F CB -0.329 38.656 39.000 -0.024 0.000 1.010 328 F HN 0.427 nan 8.300 nan 0.000 0.485 329 Y N 0.318 120.702 120.300 0.141 0.000 2.097 329 Y HA -0.321 4.227 4.550 -0.004 0.000 0.282 329 Y C 2.771 178.605 175.900 -0.109 0.000 1.152 329 Y CA 2.387 60.483 58.100 -0.007 0.000 1.136 329 Y CB -0.948 37.405 38.460 -0.178 0.000 0.975 329 Y HN 0.096 nan 8.280 nan 0.000 0.498 330 H N -0.092 118.995 119.070 0.029 0.000 2.357 330 H HA -0.120 4.433 4.556 -0.004 0.000 0.301 330 H C 1.922 177.156 175.328 -0.157 0.000 1.082 330 H CA 1.716 57.715 56.048 -0.081 0.000 1.342 330 H CB -0.628 29.182 29.762 0.079 0.000 1.389 330 H HN 0.561 nan 8.280 nan 0.000 0.511 331 N N -0.171 118.500 118.700 -0.049 0.000 2.120 331 N HA -0.124 4.613 4.740 -0.004 0.000 0.188 331 N C 1.716 177.087 175.510 -0.232 0.000 1.024 331 N CA 1.703 54.662 53.050 -0.151 0.000 0.852 331 N CB 0.003 38.359 38.487 -0.219 0.000 1.003 331 N HN 0.193 nan 8.380 nan 0.000 0.424 332 T N 0.413 114.772 114.554 -0.325 0.000 2.821 332 T HA -0.068 4.279 4.350 -0.004 0.000 0.267 332 T C 2.125 176.703 174.700 -0.204 0.000 1.046 332 T CA 0.653 62.583 62.100 -0.284 0.000 1.139 332 T CB -0.237 68.487 68.868 -0.241 0.000 0.871 332 T HN 0.004 nan 8.240 nan 0.000 0.454 333 V N 1.617 121.374 119.914 -0.261 0.000 2.295 333 V HA -0.195 3.923 4.120 -0.004 0.000 0.246 333 V C 2.476 178.500 176.094 -0.117 0.000 1.049 333 V CA 1.591 63.764 62.300 -0.212 0.000 1.024 333 V CB -0.470 31.176 31.823 -0.295 0.000 0.648 333 V HN 0.476 nan 8.190 nan 0.000 0.447 334 K N -0.424 119.916 120.400 -0.101 0.000 2.152 334 K HA -0.231 4.087 4.320 -0.004 0.000 0.206 334 K C 2.240 178.801 176.600 -0.065 0.000 1.048 334 K CA 1.580 57.828 56.287 -0.064 0.000 0.933 334 K CB -0.189 32.279 32.500 -0.053 0.000 0.721 334 K HN 0.564 nan 8.250 nan 0.000 0.447 335 Q N 0.180 119.929 119.800 -0.086 0.000 2.123 335 Q HA -0.075 4.262 4.340 -0.004 0.000 0.199 335 Q C 2.142 178.110 176.000 -0.053 0.000 0.966 335 Q CA 0.880 56.640 55.803 -0.072 0.000 0.845 335 Q CB 0.150 28.831 28.738 -0.095 0.000 0.907 335 Q HN 0.088 nan 8.270 nan 0.000 0.439 336 V N 1.336 121.216 119.914 -0.057 0.000 2.343 336 V HA -0.262 3.856 4.120 -0.004 0.000 0.247 336 V C 1.930 178.007 176.094 -0.027 0.000 1.051 336 V CA 1.777 64.055 62.300 -0.036 0.000 1.036 336 V CB -0.387 31.415 31.823 -0.036 0.000 0.654 336 V HN 0.279 nan 8.190 nan 0.000 0.451 337 K N 0.465 120.846 120.400 -0.032 0.000 2.148 337 K HA -0.043 4.274 4.320 -0.004 0.000 0.204 337 K C 2.122 178.711 176.600 -0.018 0.000 1.050 337 K CA 1.335 57.609 56.287 -0.022 0.000 0.942 337 K CB -0.331 32.156 32.500 -0.021 0.000 0.724 337 K HN 0.477 nan 8.250 nan 0.000 0.446 338 A N 0.318 123.124 122.820 -0.023 0.000 2.167 338 A HA 0.116 4.433 4.320 -0.004 0.000 0.214 338 A C 1.587 179.162 177.584 -0.015 0.000 1.151 338 A CA 1.067 53.093 52.037 -0.019 0.000 0.735 338 A CB -0.404 18.582 19.000 -0.024 0.000 0.802 338 A HN 0.425 nan 8.150 nan 0.000 0.467 339 G N -1.523 107.268 108.800 -0.014 0.000 2.176 339 G HA2 -0.286 3.671 3.960 -0.004 0.000 0.253 339 G HA3 -0.286 3.671 3.960 -0.004 0.000 0.253 339 G C 1.105 176.001 174.900 -0.007 0.000 0.979 339 G CA 0.890 45.986 45.100 -0.008 0.000 0.641 339 G HN 1.553 nan 8.290 nan 0.000 0.530 340 V N -1.816 118.091 119.914 -0.012 0.000 3.461 340 V HA 0.560 4.677 4.120 -0.004 0.000 0.267 340 V C 1.036 177.127 176.094 -0.006 0.000 1.186 340 V CA 0.960 63.255 62.300 -0.009 0.000 1.154 340 V CB -0.106 31.709 31.823 -0.014 0.000 0.802 340 V HN 0.439 nan 8.190 nan 0.000 0.474 341 I N 1.804 122.369 120.570 -0.010 0.000 2.410 341 I HA 0.702 4.869 4.170 -0.004 0.000 0.286 341 I C 0.446 176.564 176.117 0.002 0.000 1.009 341 I CA -0.631 60.669 61.300 -0.001 0.000 1.111 341 I CB 1.528 39.524 38.000 -0.007 0.000 1.262 341 I HN 0.160 nan 8.210 nan 0.000 0.443 342 A N 5.080 127.905 122.820 0.009 0.000 2.462 342 A HA 0.190 4.507 4.320 -0.004 0.000 0.243 342 A C 1.131 178.722 177.584 0.011 0.000 1.076 342 A CA -0.079 51.964 52.037 0.010 0.000 0.773 342 A CB 0.275 19.283 19.000 0.013 0.000 1.010 342 A HN 0.883 nan 8.150 nan 0.000 0.493 343 E N 1.128 121.334 120.200 0.010 0.000 2.118 343 E HA -0.211 4.137 4.350 -0.004 0.000 0.195 343 E C 2.204 178.814 176.600 0.018 0.000 0.992 343 E CA 1.673 58.081 56.400 0.013 0.000 0.804 343 E CB -0.084 29.623 29.700 0.012 0.000 0.741 343 E HN 0.936 nan 8.360 nan 0.000 0.458 344 S N 0.904 116.614 115.700 0.017 0.000 2.419 344 S HA -0.211 4.256 4.470 -0.004 0.000 0.233 344 S C 1.904 176.518 174.600 0.022 0.000 1.016 344 S CA 1.219 59.430 58.200 0.018 0.000 0.974 344 S CB -0.133 63.077 63.200 0.016 0.000 0.786 344 S HN 0.063 nan 8.310 nan 0.000 0.492 345 R N 2.340 122.854 120.500 0.023 0.000 2.057 345 R HA 0.108 4.446 4.340 -0.004 0.000 0.229 345 R C 2.408 178.729 176.300 0.035 0.000 1.136 345 R CA 1.781 57.898 56.100 0.028 0.000 0.952 345 R CB -0.999 29.318 30.300 0.028 0.000 0.848 345 R HN 0.713 nan 8.270 nan 0.000 0.430 346 I N -0.920 119.671 120.570 0.034 0.000 2.286 346 I HA -0.197 3.971 4.170 -0.004 0.000 0.248 346 I C 1.166 177.311 176.117 0.046 0.000 1.115 346 I CA 1.690 63.015 61.300 0.042 0.000 1.392 346 I CB -0.542 37.480 38.000 0.038 0.000 1.065 346 I HN 0.052 nan 8.210 nan 0.000 0.418 347 N N 1.476 120.199 118.700 0.038 0.000 2.084 347 N HA -0.226 4.512 4.740 -0.004 0.000 0.190 347 N C 1.616 177.150 175.510 0.040 0.000 1.030 347 N CA 2.083 55.156 53.050 0.038 0.000 0.849 347 N CB -0.595 37.909 38.487 0.029 0.000 1.012 347 N HN 0.561 nan 8.380 nan 0.000 0.423 348 D N 0.278 120.699 120.400 0.035 0.000 2.117 348 D HA -0.000 4.637 4.640 -0.004 0.000 0.197 348 D C 1.761 178.090 176.300 0.047 0.000 0.987 348 D CA 1.261 55.281 54.000 0.033 0.000 0.829 348 D CB -0.132 40.683 40.800 0.025 0.000 0.961 348 D HN 0.231 nan 8.370 nan 0.000 0.460 349 A N -0.151 122.703 122.820 0.057 0.000 1.883 349 A HA -0.158 4.159 4.320 -0.004 0.000 0.217 349 A C 2.497 180.137 177.584 0.094 0.000 1.186 349 A CA 1.846 53.927 52.037 0.074 0.000 0.624 349 A CB -0.911 18.126 19.000 0.063 0.000 0.822 349 A HN 0.221 nan 8.150 nan 0.000 0.444 350 V N -0.124 119.845 119.914 0.091 0.000 2.358 350 V HA -0.234 3.883 4.120 -0.004 0.000 0.246 350 V C 2.597 178.746 176.094 0.091 0.000 1.047 350 V CA 2.007 64.376 62.300 0.115 0.000 1.035 350 V CB -0.849 31.034 31.823 0.100 0.000 0.658 350 V HN 0.504 nan 8.190 nan 0.000 0.452 351 R N 0.079 120.616 120.500 0.063 0.000 2.097 351 R HA -0.204 4.134 4.340 -0.004 0.000 0.236 351 R C 2.559 178.886 176.300 0.045 0.000 1.135 351 R CA 2.026 58.152 56.100 0.043 0.000 0.934 351 R CB -0.453 29.864 30.300 0.030 0.000 0.846 351 R HN 0.462 nan 8.270 nan 0.000 0.431 352 R N -0.459 120.079 120.500 0.064 0.000 2.083 352 R HA -0.167 4.170 4.340 -0.004 0.000 0.237 352 R C 2.232 178.630 176.300 0.164 0.000 1.137 352 R CA 1.632 57.784 56.100 0.087 0.000 0.951 352 R CB -0.469 29.885 30.300 0.091 0.000 0.851 352 R HN 0.169 nan 8.270 nan 0.000 0.434 353 F N 1.393 121.266 119.950 -0.128 0.000 2.102 353 F HA -0.102 4.422 4.527 -0.005 0.000 0.298 353 F C 1.881 177.497 175.800 -0.307 0.000 1.105 353 F CA 1.334 59.034 58.000 -0.500 0.000 1.239 353 F CB -0.413 38.254 39.000 -0.556 0.000 0.991 353 F HN -0.096 nan 8.300 nan 0.000 0.474 354 L N -0.104 120.985 121.223 -0.223 0.000 2.141 354 L HA -0.175 4.162 4.340 -0.004 0.000 0.209 354 L C 2.655 179.451 176.870 -0.123 0.000 1.094 354 L CA 1.318 56.013 54.840 -0.241 0.000 0.763 354 L CB -0.653 41.369 42.059 -0.062 0.000 0.908 354 L HN 0.104 nan 8.230 nan 0.000 0.437 355 R N 0.525 121.000 120.500 -0.043 0.000 2.127 355 R HA -0.195 4.143 4.340 -0.004 0.000 0.238 355 R C 2.211 178.533 176.300 0.038 0.000 1.134 355 R CA 1.441 57.553 56.100 0.019 0.000 0.975 355 R CB -0.127 30.195 30.300 0.037 0.000 0.865 355 R HN 0.341 nan 8.270 nan 0.000 0.447 356 A N 1.211 124.029 122.820 -0.003 0.000 1.854 356 A HA -0.084 4.233 4.320 -0.004 0.000 0.214 356 A C 1.941 179.500 177.584 -0.042 0.000 1.192 356 A CA 1.258 53.316 52.037 0.034 0.000 0.611 356 A CB -0.279 18.815 19.000 0.156 0.000 0.832 356 A HN 0.290 nan 8.150 nan 0.000 0.442 357 K N -0.294 119.947 120.400 -0.265 0.000 2.026 357 K HA -0.084 4.233 4.320 -0.004 0.000 0.208 357 K C 1.904 178.522 176.600 0.030 0.000 1.048 357 K CA 1.614 57.774 56.287 -0.211 0.000 0.929 357 K CB -0.445 31.770 32.500 -0.475 0.000 0.713 357 K HN 0.521 nan 8.250 nan 0.000 0.439 358 I N 0.574 121.161 120.570 0.028 0.000 2.179 358 I HA -0.266 3.901 4.170 -0.004 0.000 0.242 358 I C 2.735 178.949 176.117 0.160 0.000 1.088 358 I CA 1.130 62.523 61.300 0.155 0.000 1.357 358 I CB -0.246 37.867 38.000 0.189 0.000 1.051 358 I HN 0.147 nan 8.210 nan 0.000 0.409 359 R N 0.119 120.703 120.500 0.141 0.000 2.120 359 R HA -0.247 4.091 4.340 -0.004 0.000 0.234 359 R C 2.230 178.620 176.300 0.150 0.000 1.123 359 R CA 1.651 57.841 56.100 0.150 0.000 0.975 359 R CB -0.384 30.028 30.300 0.186 0.000 0.866 359 R HN 0.474 nan 8.270 nan 0.000 0.446 360 W N -0.208 121.084 121.300 -0.012 0.000 2.402 360 W HA -0.031 4.625 4.660 -0.006 0.000 0.286 360 W C 0.697 177.217 176.519 0.000 0.000 1.221 360 W CA 1.887 59.212 57.345 -0.034 0.000 1.257 360 W CB 0.203 29.631 29.460 -0.054 0.000 1.120 360 W HN 0.272 nan 8.180 nan 0.000 0.551 361 G N -0.553 108.300 108.800 0.089 0.000 2.189 361 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.113 361 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.113 361 G C 0.403 175.368 174.900 0.109 0.000 1.038 361 G CA -0.187 44.883 45.100 -0.050 0.000 0.704 361 G HN 0.218 nan 8.290 nan 0.000 0.490 362 V N -0.284 119.787 119.914 0.262 0.000 2.407 362 V HA -0.042 4.075 4.120 -0.004 0.000 0.248 362 V C 2.402 178.482 176.094 -0.023 0.000 1.055 362 V CA 2.638 65.044 62.300 0.176 0.000 1.049 362 V CB -0.469 31.351 31.823 -0.005 0.000 0.662 362 V HN 0.466 nan 8.190 nan 0.000 0.455 363 F N 0.338 120.369 119.950 0.135 0.000 2.335 363 F HA -0.057 4.468 4.527 -0.003 0.000 0.296 363 F C 2.616 178.469 175.800 0.089 0.000 1.091 363 F CA 1.491 59.552 58.000 0.101 0.000 1.399 363 F CB -0.914 38.119 39.000 0.056 0.000 1.067 363 F HN 0.297 nan 8.300 nan 0.000 0.520 364 T N -2.504 112.183 114.554 0.222 0.000 3.014 364 T HA 0.047 4.394 4.350 -0.004 0.000 0.263 364 T C 0.927 175.670 174.700 0.072 0.000 1.078 364 T CA 0.240 62.413 62.100 0.122 0.000 1.135 364 T CB -0.204 68.702 68.868 0.064 0.000 0.895 364 T HN -0.033 nan 8.240 nan 0.000 0.480 365 K N 2.319 122.754 120.400 0.058 0.000 2.098 365 K HA 0.453 4.771 4.320 -0.004 0.000 0.257 365 K C 0.642 177.284 176.600 0.070 0.000 0.999 365 K CA -0.413 55.888 56.287 0.024 0.000 0.924 365 K CB 1.150 33.628 32.500 -0.037 0.000 1.028 365 K HN 0.432 nan 8.250 nan 0.000 0.466 366 S N 0.792 116.504 115.700 0.021 0.000 2.641 366 S HA 0.085 4.552 4.470 -0.004 0.000 0.261 366 S C -0.039 174.454 174.600 -0.178 0.000 1.257 366 S CA -0.786 57.406 58.200 -0.014 0.000 0.983 366 S CB 0.348 63.537 63.200 -0.019 0.000 0.990 366 S HN 0.603 nan 8.310 nan 0.000 0.572 367 K N -0.045 120.155 120.400 -0.334 0.000 2.440 367 K HA 0.129 4.447 4.320 -0.004 0.000 0.270 367 K C -2.234 174.147 176.600 -0.365 0.000 0.980 367 K CA -0.951 54.867 56.287 -0.782 0.000 0.953 367 K CB -0.586 31.615 32.500 -0.498 0.000 0.925 367 K HN 0.185 nan 8.250 nan 0.000 0.497 368 P HA -0.305 nan 4.420 nan 0.000 0.217 368 P C 1.416 178.743 177.300 0.044 0.000 1.162 368 P CA 2.290 65.387 63.100 -0.005 0.000 0.901 368 P CB -0.074 31.699 31.700 0.121 0.000 0.793 369 S N -1.336 114.386 115.700 0.037 0.000 2.474 369 S HA 0.003 4.470 4.470 -0.004 0.000 0.235 369 S C 1.836 176.447 174.600 0.018 0.000 0.997 369 S CA 0.977 59.210 58.200 0.054 0.000 0.949 369 S CB -1.032 62.207 63.200 0.065 0.000 0.766 369 S HN 0.142 nan 8.310 nan 0.000 0.517 370 A N 0.969 123.785 122.820 -0.007 0.000 2.267 370 A HA 0.362 4.679 4.320 -0.004 0.000 0.213 370 A C 1.063 178.645 177.584 -0.004 0.000 1.192 370 A CA -0.521 51.509 52.037 -0.011 0.000 0.851 370 A CB -0.086 18.903 19.000 -0.019 0.000 0.881 370 A HN 0.473 nan 8.150 nan 0.000 0.494 371 R N 0.453 120.961 120.500 0.013 0.000 2.643 371 R HA 0.192 4.529 4.340 -0.004 0.000 0.270 371 R C -1.694 174.629 176.300 0.038 0.000 1.061 371 R CA -1.413 54.707 56.100 0.034 0.000 1.107 371 R CB 0.254 30.603 30.300 0.082 0.000 0.999 371 R HN 0.071 nan 8.270 nan 0.000 0.460 372 P HA -0.228 nan 4.420 nan 0.000 0.216 372 P C 0.725 178.099 177.300 0.123 0.000 1.150 372 P CA 1.311 64.448 63.100 0.062 0.000 0.837 372 P CB 0.082 31.830 31.700 0.080 0.000 0.786 373 E N -0.419 119.883 120.200 0.171 0.000 2.511 373 E HA -0.012 4.336 4.350 -0.004 0.000 0.196 373 E C 0.817 177.516 176.600 0.166 0.000 1.066 373 E CA 0.770 57.335 56.400 0.276 0.000 0.871 373 E CB -0.718 29.216 29.700 0.390 0.000 0.863 373 E HN 0.154 nan 8.360 nan 0.000 0.520 374 S N 0.973 116.723 115.700 0.084 0.000 2.556 374 S HA 0.077 4.544 4.470 -0.004 0.000 0.216 374 S C 1.046 175.596 174.600 -0.083 0.000 0.970 374 S CA -0.143 58.079 58.200 0.036 0.000 0.912 374 S CB 0.310 63.554 63.200 0.073 0.000 0.790 374 S HN 0.146 nan 8.310 nan 0.000 0.504 375 Q N 1.014 120.690 119.800 -0.206 0.000 2.280 375 Q HA 0.164 4.502 4.340 -0.004 0.000 0.201 375 Q C -0.353 175.230 176.000 -0.695 0.000 0.890 375 Q CA 0.384 55.946 55.803 -0.402 0.000 0.947 375 Q CB -0.007 28.463 28.738 -0.447 0.000 1.081 375 Q HN 0.615 nan 8.270 nan 0.000 0.502 376 H N 0.594 119.345 119.070 -0.531 0.000 2.348 376 H HA 0.174 4.725 4.556 -0.007 0.000 0.232 376 H C -1.720 173.305 175.328 -0.505 0.000 1.419 376 H CA -1.552 54.048 56.048 -0.747 0.000 1.416 376 H CB 1.310 30.017 29.762 -1.757 0.000 1.510 376 H HN -0.015 nan 8.280 nan 0.000 0.507 377 P HA -0.201 nan 4.420 nan 0.000 0.220 377 P C 1.687 178.982 177.300 -0.008 0.000 1.148 377 P CA 0.944 64.011 63.100 -0.055 0.000 0.803 377 P CB 0.376 32.056 31.700 -0.034 0.000 0.782 378 Q N -0.994 118.787 119.800 -0.031 0.000 2.368 378 Q HA -0.177 4.160 4.340 -0.004 0.000 0.210 378 Q C 1.625 177.695 176.000 0.116 0.000 0.982 378 Q CA 1.282 57.097 55.803 0.020 0.000 0.884 378 Q CB -1.234 27.509 28.738 0.009 0.000 0.933 378 Q HN 0.243 nan 8.270 nan 0.000 0.460 379 W N 1.304 122.591 121.300 -0.021 0.000 2.374 379 W HA 0.095 4.747 4.660 -0.013 0.000 0.288 379 W C 1.194 177.708 176.519 -0.009 0.000 1.218 379 W CA -0.157 57.162 57.345 -0.043 0.000 1.245 379 W CB -0.514 28.978 29.460 0.052 0.000 1.126 379 W HN 0.074 nan 8.180 nan 0.000 0.545 380 L N 1.441 122.793 121.223 0.214 0.000 2.456 380 L HA 0.203 4.541 4.340 -0.004 0.000 0.277 380 L C 1.377 178.261 176.870 0.024 0.000 1.124 380 L CA 1.137 56.034 54.840 0.095 0.000 0.880 380 L CB -0.281 41.785 42.059 0.011 0.000 1.192 380 L HN 0.406 nan 8.230 nan 0.000 0.463 381 G N 3.439 112.249 108.800 0.017 0.000 2.160 381 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.251 381 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.251 381 G C 0.574 175.433 174.900 -0.068 0.000 1.008 381 G CA 0.193 45.264 45.100 -0.048 0.000 0.724 381 G HN 1.047 nan 8.290 nan 0.000 0.514 382 A N -0.281 122.466 122.820 -0.121 0.000 2.561 382 A HA 0.655 4.972 4.320 -0.004 0.000 0.234 382 A C 1.943 179.425 177.584 -0.170 0.000 1.055 382 A CA 1.084 52.985 52.037 -0.226 0.000 0.756 382 A CB 0.037 18.700 19.000 -0.562 0.000 0.986 382 A HN 1.925 nan 8.150 nan 0.000 0.505 383 A N 1.514 124.269 122.820 -0.109 0.000 1.903 383 A HA -0.245 4.072 4.320 -0.004 0.000 0.219 383 A C 1.891 179.445 177.584 -0.050 0.000 1.191 383 A CA 2.122 54.118 52.037 -0.067 0.000 0.638 383 A CB -0.757 18.217 19.000 -0.044 0.000 0.823 383 A HN 1.027 nan 8.150 nan 0.000 0.451 384 E N -1.593 118.568 120.200 -0.065 0.000 2.208 384 E HA -0.228 4.120 4.350 -0.004 0.000 0.193 384 E C 1.669 178.344 176.600 0.125 0.000 0.988 384 E CA 1.192 57.598 56.400 0.009 0.000 0.828 384 E CB -0.527 29.182 29.700 0.016 0.000 0.763 384 E HN 0.699 nan 8.360 nan 0.000 0.478 385 H N 1.420 120.486 119.070 -0.006 0.000 2.389 385 H HA 0.075 4.628 4.556 -0.004 0.000 0.299 385 H C 1.983 177.271 175.328 -0.067 0.000 1.081 385 H CA 1.362 57.419 56.048 0.014 0.000 1.345 385 H CB -0.190 29.573 29.762 0.002 0.000 1.393 385 H HN 0.209 nan 8.280 nan 0.000 0.520 386 R N -0.275 120.230 120.500 0.008 0.000 2.115 386 R HA -0.046 4.291 4.340 -0.004 0.000 0.230 386 R C 2.101 178.370 176.300 -0.051 0.000 1.111 386 R CA 1.420 57.467 56.100 -0.088 0.000 0.976 386 R CB -0.279 29.963 30.300 -0.098 0.000 0.870 386 R HN 0.215 nan 8.270 nan 0.000 0.445 387 T N 1.931 116.478 114.554 -0.011 0.000 2.746 387 T HA -0.117 4.230 4.350 -0.004 0.000 0.267 387 T C 1.740 176.446 174.700 0.010 0.000 1.039 387 T CA 1.095 63.190 62.100 -0.007 0.000 1.142 387 T CB -0.156 68.716 68.868 0.006 0.000 0.866 387 T HN 0.107 nan 8.240 nan 0.000 0.444 388 L N 1.445 122.707 121.223 0.065 0.000 2.056 388 L HA 0.149 4.486 4.340 -0.004 0.000 0.207 388 L C 2.555 179.511 176.870 0.143 0.000 1.078 388 L CA 1.878 56.779 54.840 0.103 0.000 0.749 388 L CB -0.978 41.177 42.059 0.160 0.000 0.901 388 L HN 0.189 nan 8.230 nan 0.000 0.433 389 A N -0.291 122.615 122.820 0.144 0.000 1.933 389 A HA -0.231 4.087 4.320 -0.004 0.000 0.218 389 A C 2.554 180.140 177.584 0.003 0.000 1.175 389 A CA 1.720 53.811 52.037 0.090 0.000 0.628 389 A CB -0.665 18.163 19.000 -0.285 0.000 0.814 389 A HN 0.536 nan 8.150 nan 0.000 0.444 390 R N -0.223 120.245 120.500 -0.052 0.000 2.092 390 R HA -0.147 4.190 4.340 -0.004 0.000 0.231 390 R C 2.182 178.407 176.300 -0.126 0.000 1.119 390 R CA 1.579 57.620 56.100 -0.098 0.000 0.970 390 R CB -0.257 29.976 30.300 -0.112 0.000 0.864 390 R HN 0.732 nan 8.270 nan 0.000 0.440 391 E N -0.002 120.140 120.200 -0.097 0.000 2.051 391 E HA -0.212 4.135 4.350 -0.004 0.000 0.192 391 E C 1.739 178.294 176.600 -0.076 0.000 0.991 391 E CA 1.306 57.636 56.400 -0.116 0.000 0.799 391 E CB -0.128 29.538 29.700 -0.058 0.000 0.748 391 E HN 0.458 nan 8.360 nan 0.000 0.449 392 A N 0.682 123.497 122.820 -0.008 0.000 1.902 392 A HA -0.137 4.180 4.320 -0.004 0.000 0.217 392 A C 2.435 180.038 177.584 0.031 0.000 1.181 392 A CA 1.481 53.536 52.037 0.031 0.000 0.623 392 A CB -0.754 18.307 19.000 0.101 0.000 0.818 392 A HN 0.234 nan 8.150 nan 0.000 0.443 393 V N 0.141 120.057 119.914 0.004 0.000 2.255 393 V HA -0.328 3.789 4.120 -0.004 0.000 0.247 393 V C 2.666 178.735 176.094 -0.042 0.000 1.051 393 V CA 2.427 64.723 62.300 -0.006 0.000 1.018 393 V CB -0.834 30.959 31.823 -0.050 0.000 0.641 393 V HN 0.548 nan 8.190 nan 0.000 0.445 394 R N -0.064 120.356 120.500 -0.135 0.000 2.091 394 R HA -0.188 4.150 4.340 -0.004 0.000 0.238 394 R C 2.329 178.554 176.300 -0.125 0.000 1.136 394 R CA 1.625 57.597 56.100 -0.214 0.000 0.959 394 R CB -0.321 29.745 30.300 -0.391 0.000 0.856 394 R HN 0.506 nan 8.270 nan 0.000 0.437 395 K N 0.058 120.426 120.400 -0.054 0.000 2.366 395 K HA -0.018 4.299 4.320 -0.004 0.000 0.198 395 K C 2.077 178.733 176.600 0.094 0.000 1.044 395 K CA 1.206 57.501 56.287 0.013 0.000 0.973 395 K CB 0.219 32.727 32.500 0.014 0.000 0.767 395 K HN 0.166 nan 8.250 nan 0.000 0.475 396 S N 0.633 116.413 115.700 0.133 0.000 2.470 396 S HA 0.054 4.521 4.470 -0.004 0.000 0.225 396 S C 0.832 175.684 174.600 0.420 0.000 1.006 396 S CA -0.188 58.167 58.200 0.258 0.000 0.934 396 S CB -0.349 63.013 63.200 0.270 0.000 0.778 396 S HN 0.070 nan 8.310 nan 0.000 0.517 397 L N 2.565 123.956 121.223 0.280 0.000 2.453 397 L HA 0.349 4.686 4.340 -0.004 0.000 0.272 397 L C -0.647 176.466 176.870 0.406 0.000 1.182 397 L CA -0.545 54.475 54.840 0.300 0.000 0.858 397 L CB 0.607 42.779 42.059 0.189 0.000 1.120 397 L HN 0.048 nan 8.230 nan 0.000 0.474 398 V N 4.527 124.618 119.914 0.295 0.000 2.409 398 V HA 0.225 4.342 4.120 -0.004 0.000 0.291 398 V C -0.104 175.892 176.094 -0.163 0.000 1.020 398 V CA -0.586 61.805 62.300 0.151 0.000 0.848 398 V CB 1.854 33.848 31.823 0.286 0.000 0.990 398 V HN 0.428 nan 8.190 nan 0.000 0.430 399 L N 5.981 126.885 121.223 -0.531 0.000 2.325 399 L HA 0.354 4.691 4.340 -0.004 0.000 0.284 399 L C 0.740 177.300 176.870 -0.517 0.000 1.089 399 L CA 0.639 54.980 54.840 -0.833 0.000 0.836 399 L CB 0.417 41.599 42.059 -1.462 0.000 1.184 399 L HN 0.610 nan 8.230 nan 0.000 0.444 400 L N 3.561 124.521 121.223 -0.439 0.000 2.249 400 L HA 0.195 4.532 4.340 -0.004 0.000 0.207 400 L C 0.753 177.345 176.870 -0.463 0.000 1.090 400 L CA 0.349 54.823 54.840 -0.610 0.000 0.802 400 L CB -0.178 41.315 42.059 -0.943 0.000 0.947 400 L HN 0.587 nan 8.230 nan 0.000 0.453 401 K N 0.242 120.477 120.400 -0.275 0.000 2.550 401 K HA 0.249 4.567 4.320 -0.004 0.000 0.252 401 K C -1.401 175.132 176.600 -0.111 0.000 0.943 401 K CA -0.463 55.738 56.287 -0.145 0.000 0.806 401 K CB 1.731 34.170 32.500 -0.100 0.000 1.289 401 K HN -0.232 nan 8.250 nan 0.000 0.435 402 N N 3.128 121.783 118.700 -0.076 0.000 2.716 402 N HA 0.204 4.942 4.740 -0.004 0.000 0.245 402 N C -1.718 173.785 175.510 -0.012 0.000 1.495 402 N CA -0.484 52.544 53.050 -0.036 0.000 0.759 402 N CB 0.412 38.882 38.487 -0.029 0.000 1.261 402 N HN 0.543 nan 8.380 nan 0.000 0.515 403 N N 1.771 120.464 118.700 -0.011 0.000 2.483 403 N HA 0.065 4.802 4.740 -0.004 0.000 0.264 403 N C -0.042 175.465 175.510 -0.005 0.000 1.197 403 N CA 0.591 53.638 53.050 -0.007 0.000 0.927 403 N CB 0.430 38.912 38.487 -0.008 0.000 1.065 403 N HN 0.251 nan 8.380 nan 0.000 0.461 404 E N 0.279 120.476 120.200 -0.004 0.000 2.722 404 E HA -0.237 4.110 4.350 -0.004 0.000 0.265 404 E C -0.798 175.797 176.600 -0.010 0.000 1.081 404 E CA 0.757 57.153 56.400 -0.007 0.000 0.781 404 E CB -2.047 27.648 29.700 -0.009 0.000 1.372 404 E HN 0.656 nan 8.360 nan 0.000 0.423 405 S N -1.142 114.556 115.700 -0.003 0.000 3.559 405 S HA -0.260 4.207 4.470 -0.004 0.000 0.369 405 S C 1.113 175.698 174.600 -0.025 0.000 0.987 405 S CA 0.861 59.058 58.200 -0.005 0.000 1.187 405 S CB -1.503 61.687 63.200 -0.016 0.000 0.914 405 S HN 0.592 nan 8.310 nan 0.000 0.480 406 I N -0.250 120.314 120.570 -0.010 0.000 2.394 406 I HA -0.039 4.128 4.170 -0.004 0.000 0.251 406 I C 0.661 176.767 176.117 -0.019 0.000 1.136 406 I CA 1.359 62.649 61.300 -0.016 0.000 1.425 406 I CB 0.143 38.139 38.000 -0.006 0.000 1.079 406 I HN 0.402 nan 8.210 nan 0.000 0.425 407 L N 2.928 124.161 121.223 0.017 0.000 2.334 407 L HA 0.372 4.709 4.340 -0.004 0.000 0.277 407 L C -2.222 174.469 176.870 -0.300 0.000 1.075 407 L CA -1.937 52.921 54.840 0.029 0.000 0.804 407 L CB 0.874 43.125 42.059 0.321 0.000 1.174 407 L HN -0.048 nan 8.230 nan 0.000 0.438 408 P HA 0.225 nan 4.420 nan 0.000 0.278 408 P C -0.649 176.565 177.300 -0.143 0.000 1.238 408 P CA -0.261 62.661 63.100 -0.296 0.000 0.794 408 P CB 1.092 32.551 31.700 -0.402 0.000 0.955 409 I N 2.024 122.561 120.570 -0.054 0.000 2.474 409 I HA 0.153 4.320 4.170 -0.004 0.000 0.287 409 I C 1.109 177.198 176.117 -0.047 0.000 1.048 409 I CA -0.649 60.626 61.300 -0.042 0.000 1.383 409 I CB 0.413 38.404 38.000 -0.016 0.000 1.412 409 I HN 0.170 nan 8.210 nan 0.000 0.531 410 K N 4.341 124.712 120.400 -0.049 0.000 2.436 410 K HA 0.076 4.393 4.320 -0.004 0.000 0.282 410 K C 0.930 177.510 176.600 -0.033 0.000 1.044 410 K CA 0.211 56.472 56.287 -0.043 0.000 1.028 410 K CB 0.846 33.322 32.500 -0.040 0.000 0.919 410 K HN 0.701 nan 8.250 nan 0.000 0.474 411 A N 2.499 125.301 122.820 -0.031 0.000 2.070 411 A HA -0.143 4.175 4.320 -0.004 0.000 0.220 411 A C 1.599 179.166 177.584 -0.027 0.000 1.159 411 A CA 1.896 53.916 52.037 -0.028 0.000 0.656 411 A CB -0.440 18.544 19.000 -0.027 0.000 0.800 411 A HN 0.720 nan 8.150 nan 0.000 0.453 412 S N -0.520 115.164 115.700 -0.026 0.000 2.605 412 S HA 0.223 4.691 4.470 -0.004 0.000 0.217 412 S C 0.680 175.267 174.600 -0.021 0.000 0.958 412 S CA 0.177 58.364 58.200 -0.023 0.000 0.919 412 S CB -0.334 62.853 63.200 -0.022 0.000 0.780 412 S HN 0.306 nan 8.310 nan 0.000 0.507 413 S N 2.086 117.773 115.700 -0.023 0.000 2.606 413 S HA 0.234 4.701 4.470 -0.004 0.000 0.257 413 S C 0.252 174.842 174.600 -0.018 0.000 1.327 413 S CA -0.595 57.591 58.200 -0.022 0.000 0.984 413 S CB 0.339 63.524 63.200 -0.025 0.000 0.941 413 S HN 0.604 nan 8.310 nan 0.000 0.576 414 R N 0.927 121.415 120.500 -0.020 0.000 2.207 414 R HA 0.485 4.823 4.340 -0.004 0.000 0.334 414 R C -1.260 175.027 176.300 -0.022 0.000 1.013 414 R CA -0.153 55.937 56.100 -0.016 0.000 0.858 414 R CB -0.026 30.262 30.300 -0.020 0.000 1.094 414 R HN 0.546 nan 8.270 nan 0.000 0.457 415 I N 5.264 125.832 120.570 -0.004 0.000 2.465 415 I HA 0.262 4.429 4.170 -0.004 0.000 0.291 415 I C -0.840 175.292 176.117 0.025 0.000 1.014 415 I CA -1.269 60.032 61.300 0.002 0.000 1.093 415 I CB 1.996 40.005 38.000 0.014 0.000 1.267 415 I HN 0.488 nan 8.210 nan 0.000 0.431 416 L N 7.919 129.146 121.223 0.005 0.000 2.289 416 L HA 0.566 4.903 4.340 -0.004 0.000 0.285 416 L C -0.784 176.120 176.870 0.056 0.000 1.049 416 L CA -0.218 54.640 54.840 0.031 0.000 0.804 416 L CB 1.528 43.582 42.059 -0.008 0.000 1.195 416 L HN 0.314 nan 8.230 nan 0.000 0.428 417 V N 5.609 125.578 119.914 0.091 0.000 2.384 417 V HA 0.910 5.027 4.120 -0.004 0.000 0.287 417 V C 0.259 176.372 176.094 0.031 0.000 1.020 417 V CA 0.051 62.410 62.300 0.097 0.000 0.850 417 V CB 0.585 32.557 31.823 0.248 0.000 0.987 417 V HN 1.049 nan 8.190 nan 0.000 0.436 418 A N 3.429 126.265 122.820 0.027 0.000 2.524 418 A HA 1.068 5.385 4.320 -0.004 0.000 0.286 418 A C 0.124 177.717 177.584 0.015 0.000 1.203 418 A CA -0.378 51.666 52.037 0.013 0.000 0.736 418 A CB 1.589 20.608 19.000 0.032 0.000 1.322 418 A HN 2.238 nan 8.150 nan 0.000 0.424 419 G N -0.491 108.320 108.800 0.018 0.000 2.719 419 G HA2 -0.076 3.881 3.960 -0.004 0.000 0.686 419 G HA3 -0.076 3.881 3.960 -0.004 0.000 0.686 419 G C 0.236 175.145 174.900 0.015 0.000 1.201 419 G CA 0.159 45.278 45.100 0.032 0.000 0.768 419 G HN 0.842 nan 8.290 nan 0.000 0.629 420 K N 0.439 120.856 120.400 0.028 0.000 2.113 420 K HA -0.124 4.193 4.320 -0.004 0.000 0.208 420 K C 2.546 179.147 176.600 0.001 0.000 1.047 420 K CA 1.864 58.159 56.287 0.014 0.000 0.928 420 K CB -0.233 32.287 32.500 0.034 0.000 0.716 420 K HN 0.779 nan 8.250 nan 0.000 0.446 421 G N -0.226 108.576 108.800 0.003 0.000 2.920 421 G HA2 0.019 3.977 3.960 -0.004 0.000 0.208 421 G HA3 0.019 3.977 3.960 -0.004 0.000 0.208 421 G C 1.312 176.200 174.900 -0.020 0.000 1.159 421 G CA 0.531 45.619 45.100 -0.021 0.000 0.784 421 G HN 0.282 nan 8.290 nan 0.000 0.535 422 A N 1.045 123.861 122.820 -0.007 0.000 1.940 422 A HA -0.088 4.229 4.320 -0.004 0.000 0.219 422 A C 1.739 179.350 177.584 0.046 0.000 1.176 422 A CA 1.722 53.770 52.037 0.019 0.000 0.631 422 A CB -0.149 18.854 19.000 0.004 0.000 0.814 422 A HN 0.397 nan 8.150 nan 0.000 0.446 423 N N -1.591 117.113 118.700 0.006 0.000 2.517 423 N HA 0.404 5.142 4.740 -0.004 0.000 0.285 423 N C -0.768 174.738 175.510 -0.005 0.000 1.528 423 N CA 0.567 53.631 53.050 0.024 0.000 0.892 423 N CB 0.691 39.168 38.487 -0.017 0.000 1.356 423 N HN 0.279 nan 8.380 nan 0.000 0.495 424 A N 0.857 123.659 122.820 -0.030 0.000 2.536 424 A HA 0.422 4.739 4.320 -0.004 0.000 0.329 424 A C 0.986 178.505 177.584 -0.108 0.000 1.321 424 A CA -0.530 51.481 52.037 -0.043 0.000 0.804 424 A CB -0.242 18.739 19.000 -0.032 0.000 1.126 424 A HN 0.357 nan 8.150 nan 0.000 0.480 425 I N 1.469 121.939 120.570 -0.168 0.000 2.264 425 I HA -0.271 3.896 4.170 -0.004 0.000 0.248 425 I C 2.638 178.451 176.117 -0.507 0.000 1.111 425 I CA 1.517 62.575 61.300 -0.403 0.000 1.382 425 I CB -0.203 37.432 38.000 -0.608 0.000 1.060 425 I HN 0.848 nan 8.210 nan 0.000 0.418 426 N N 1.928 120.475 118.700 -0.255 0.000 2.149 426 N HA -0.237 4.500 4.740 -0.004 0.000 0.188 426 N C 1.727 177.169 175.510 -0.112 0.000 1.019 426 N CA 1.783 54.788 53.050 -0.075 0.000 0.857 426 N CB -0.506 38.065 38.487 0.141 0.000 0.997 426 N HN 0.390 nan 8.380 nan 0.000 0.426 427 M N 0.640 120.170 119.600 -0.116 0.000 2.200 427 M HA -0.115 4.362 4.480 -0.004 0.000 0.265 427 M C 2.415 178.620 176.300 -0.158 0.000 1.066 427 M CA 1.601 56.828 55.300 -0.121 0.000 1.127 427 M CB -0.263 32.286 32.600 -0.086 0.000 1.379 427 M HN 0.359 nan 8.290 nan 0.000 0.420 428 Q N 0.043 119.738 119.800 -0.175 0.000 2.297 428 Q HA -0.036 4.301 4.340 -0.004 0.000 0.204 428 Q C 1.698 177.601 176.000 -0.161 0.000 0.962 428 Q CA 1.397 57.100 55.803 -0.166 0.000 0.879 428 Q CB -0.168 28.471 28.738 -0.164 0.000 0.947 428 Q HN 0.450 nan 8.270 nan 0.000 0.462 429 A N 1.071 123.773 122.820 -0.197 0.000 1.984 429 A HA 0.426 4.744 4.320 -0.004 0.000 0.214 429 A C 1.303 178.878 177.584 -0.014 0.000 1.173 429 A CA 0.904 52.881 52.037 -0.100 0.000 0.673 429 A CB -0.598 18.305 19.000 -0.161 0.000 0.830 429 A HN 0.660 nan 8.150 nan 0.000 0.453 430 G N -1.541 107.181 108.800 -0.130 0.000 2.697 430 G HA2 0.187 4.145 3.960 -0.004 0.000 0.240 430 G HA3 0.187 4.145 3.960 -0.004 0.000 0.240 430 G C 0.603 175.387 174.900 -0.192 0.000 1.346 430 G CA -0.192 44.727 45.100 -0.302 0.000 0.887 430 G HN 1.438 nan 8.290 nan 0.000 0.569 431 G N -2.758 105.800 108.800 -0.403 0.000 2.683 431 G HA2 0.483 4.440 3.960 -0.004 0.000 0.260 431 G HA3 0.483 4.440 3.960 -0.004 0.000 0.260 431 G C 0.399 175.385 174.900 0.143 0.000 1.238 431 G CA 0.532 45.471 45.100 -0.267 0.000 0.934 431 G HN 1.831 nan 8.290 nan 0.000 0.534 432 W N -1.139 120.230 121.300 0.115 0.000 6.111 432 W HA -0.129 4.526 4.660 -0.009 0.000 0.409 432 W C 0.297 177.039 176.519 0.372 0.000 1.586 432 W CA 0.516 58.018 57.345 0.262 0.000 1.027 432 W CB -1.926 27.723 29.460 0.315 0.000 2.784 432 W HN 0.442 nan 8.180 nan 0.000 1.485 433 S N -0.259 115.684 115.700 0.406 0.000 2.620 433 S HA 0.451 4.919 4.470 -0.004 0.000 0.244 433 S C 0.674 175.393 174.600 0.199 0.000 1.192 433 S CA -0.262 58.157 58.200 0.367 0.000 1.148 433 S CB 1.832 65.294 63.200 0.438 0.000 1.106 433 S HN 0.433 nan 8.310 nan 0.000 0.474 434 V N 1.315 121.299 119.914 0.117 0.000 0.524 434 V HA -0.323 3.794 4.120 -0.004 0.000 0.092 434 V C 1.185 177.312 176.094 0.054 0.000 2.204 434 V CA 2.187 64.502 62.300 0.025 0.000 3.556 434 V CB -2.093 29.652 31.823 -0.129 0.000 0.846 434 V HN 0.903 nan 8.190 nan 0.000 0.884 435 S N -1.056 114.672 115.700 0.046 0.000 2.758 435 S HA 0.497 4.964 4.470 -0.004 0.000 0.292 435 S C -0.112 174.531 174.600 0.070 0.000 1.131 435 S CA 0.184 58.413 58.200 0.049 0.000 0.997 435 S CB 2.094 65.297 63.200 0.004 0.000 1.111 435 S HN 0.695 nan 8.310 nan 0.000 0.552 436 W N 0.781 121.939 121.300 -0.236 0.000 2.452 436 W HA 0.116 4.771 4.660 -0.008 0.000 0.313 436 W C 2.245 178.410 176.519 -0.590 0.000 1.176 436 W CA 1.546 58.599 57.345 -0.485 0.000 1.350 436 W CB -0.692 28.432 29.460 -0.559 0.000 1.148 436 W HN 0.628 nan 8.180 nan 0.000 0.498 437 Q N -0.285 119.140 119.800 -0.624 0.000 2.212 437 Q HA 0.139 4.477 4.340 -0.004 0.000 0.199 437 Q C 1.972 177.729 176.000 -0.405 0.000 0.950 437 Q CA 1.798 57.137 55.803 -0.773 0.000 0.863 437 Q CB -0.525 27.748 28.738 -0.775 0.000 0.944 437 Q HN 0.570 nan 8.270 nan 0.000 0.465 438 G N -0.174 108.496 108.800 -0.217 0.000 2.217 438 G HA2 -0.321 3.636 3.960 -0.004 0.000 0.246 438 G HA3 -0.321 3.636 3.960 -0.004 0.000 0.246 438 G C 1.144 176.014 174.900 -0.050 0.000 0.990 438 G CA 0.900 45.951 45.100 -0.081 0.000 0.627 438 G HN 0.367 nan 8.290 nan 0.000 0.522 439 T N 1.744 116.241 114.554 -0.095 0.000 2.720 439 T HA -0.114 4.233 4.350 -0.004 0.000 0.268 439 T C 2.015 176.707 174.700 -0.013 0.000 1.037 439 T CA 2.036 64.106 62.100 -0.050 0.000 1.144 439 T CB -0.370 68.463 68.868 -0.060 0.000 0.864 439 T HN 0.759 nan 8.240 nan 0.000 0.444 440 D N 0.800 121.191 120.400 -0.015 0.000 2.323 440 D HA -0.026 4.612 4.640 -0.004 0.000 0.209 440 D C 0.455 176.764 176.300 0.014 0.000 0.973 440 D CA 0.048 54.047 54.000 -0.001 0.000 0.874 440 D CB -0.575 40.219 40.800 -0.010 0.000 0.930 440 D HN 0.206 nan 8.370 nan 0.000 0.521 441 N N 1.413 120.134 118.700 0.035 0.000 2.454 441 N HA 0.064 4.801 4.740 -0.004 0.000 0.254 441 N C 0.636 176.225 175.510 0.131 0.000 1.228 441 N CA 0.576 53.668 53.050 0.069 0.000 0.900 441 N CB 0.955 39.557 38.487 0.192 0.000 1.089 441 N HN 0.356 nan 8.380 nan 0.000 0.449 442 T N -1.813 112.816 114.554 0.125 0.000 2.807 442 T HA 0.355 4.702 4.350 -0.004 0.000 0.277 442 T C 0.959 175.818 174.700 0.265 0.000 1.006 442 T CA -0.793 61.399 62.100 0.154 0.000 1.006 442 T CB 0.835 69.751 68.868 0.079 0.000 1.274 442 T HN 0.161 nan 8.240 nan 0.000 0.569 443 N N 0.911 119.741 118.700 0.217 0.000 2.289 443 N HA -0.069 4.669 4.740 -0.004 0.000 0.184 443 N C 1.963 177.624 175.510 0.251 0.000 1.016 443 N CA 1.463 54.671 53.050 0.264 0.000 0.872 443 N CB -0.494 38.073 38.487 0.133 0.000 0.973 443 N HN 0.766 nan 8.380 nan 0.000 0.433 444 S N -0.456 115.334 115.700 0.150 0.000 2.522 444 S HA 0.032 4.500 4.470 -0.004 0.000 0.227 444 S C 0.974 175.637 174.600 0.105 0.000 0.986 444 S CA 0.333 58.601 58.200 0.114 0.000 0.929 444 S CB 0.094 63.342 63.200 0.080 0.000 0.769 444 S HN 0.081 nan 8.310 nan 0.000 0.529 445 D N 0.852 121.242 120.400 -0.017 0.000 2.363 445 D HA 0.096 4.733 4.640 -0.004 0.000 0.226 445 D C -0.631 175.353 176.300 -0.526 0.000 1.020 445 D CA 0.572 54.429 54.000 -0.239 0.000 0.892 445 D CB -0.113 40.357 40.800 -0.550 0.000 0.900 445 D HN 0.517 nan 8.370 nan 0.000 0.531 446 F N 1.012 120.960 119.950 -0.003 0.000 2.564 446 F HA 0.256 4.770 4.527 -0.022 0.000 0.329 446 F C -2.175 173.548 175.800 -0.130 0.000 1.458 446 F CA -2.107 55.828 58.000 -0.109 0.000 1.117 446 F CB 1.031 39.985 39.000 -0.077 0.000 1.383 446 F HN -0.274 nan 8.300 nan 0.000 0.571 447 P HA 0.081 nan 4.420 nan 0.000 0.268 447 P C 0.101 177.361 177.300 -0.067 0.000 1.204 447 P CA 0.428 63.490 63.100 -0.063 0.000 0.768 447 P CB 0.836 32.456 31.700 -0.133 0.000 0.842 448 N N -1.977 116.703 118.700 -0.034 0.000 2.936 448 N HA -0.177 4.560 4.740 -0.004 0.000 0.236 448 N C 0.361 175.839 175.510 -0.053 0.000 0.930 448 N CA 1.564 54.586 53.050 -0.046 0.000 0.966 448 N CB -2.015 36.432 38.487 -0.067 0.000 1.090 448 N HN 0.672 nan 8.380 nan 0.000 0.592 449 A N -0.030 122.770 122.820 -0.032 0.000 2.296 449 A HA 0.650 4.967 4.320 -0.004 0.000 0.264 449 A C 0.442 177.988 177.584 -0.063 0.000 1.097 449 A CA 0.566 52.565 52.037 -0.063 0.000 0.811 449 A CB 0.556 19.517 19.000 -0.065 0.000 1.072 449 A HN 0.130 nan 8.150 nan 0.000 0.495 450 T N 1.209 115.708 114.554 -0.092 0.000 2.881 450 T HA 0.484 4.832 4.350 -0.004 0.000 0.291 450 T C 0.209 174.857 174.700 -0.087 0.000 0.990 450 T CA -0.033 62.021 62.100 -0.076 0.000 0.976 450 T CB 1.058 69.878 68.868 -0.081 0.000 0.970 450 T HN 1.055 nan 8.240 nan 0.000 0.438 451 S N 2.854 118.521 115.700 -0.054 0.000 2.589 451 S HA 0.285 4.752 4.470 -0.004 0.000 0.265 451 S C 1.524 176.107 174.600 -0.029 0.000 1.342 451 S CA -0.588 57.588 58.200 -0.040 0.000 1.005 451 S CB 0.190 63.405 63.200 0.025 0.000 0.909 451 S HN 0.581 nan 8.310 nan 0.000 0.555 452 I N 0.381 120.941 120.570 -0.017 0.000 2.252 452 I HA -0.071 4.096 4.170 -0.004 0.000 0.245 452 I C 2.181 178.313 176.117 0.025 0.000 1.102 452 I CA 1.405 62.696 61.300 -0.015 0.000 1.385 452 I CB -0.448 37.541 38.000 -0.019 0.000 1.064 452 I HN 0.770 nan 8.210 nan 0.000 0.414 453 F N 1.517 121.439 119.950 -0.047 0.000 2.095 453 F HA -0.284 4.238 4.527 -0.009 0.000 0.298 453 F C 2.629 178.410 175.800 -0.032 0.000 1.104 453 F CA 1.962 59.942 58.000 -0.034 0.000 1.232 453 F CB -0.483 38.501 39.000 -0.026 0.000 0.987 453 F HN -0.069 nan 8.300 nan 0.000 0.475 454 S N 0.306 115.915 115.700 -0.151 0.000 2.368 454 S HA -0.113 4.355 4.470 -0.004 0.000 0.225 454 S C 2.320 176.764 174.600 -0.260 0.000 1.030 454 S CA 1.133 59.179 58.200 -0.257 0.000 0.999 454 S CB -1.258 61.906 63.200 -0.059 0.000 0.844 454 S HN 0.643 nan 8.310 nan 0.000 0.459 455 G N 1.691 110.387 108.800 -0.173 0.000 2.421 455 G HA2 -0.142 3.815 3.960 -0.004 0.000 0.216 455 G HA3 -0.142 3.815 3.960 -0.004 0.000 0.216 455 G C 1.349 176.147 174.900 -0.170 0.000 1.171 455 G CA 0.658 45.670 45.100 -0.145 0.000 0.775 455 G HN 0.428 nan 8.290 nan 0.000 0.543 456 L N -0.022 121.083 121.223 -0.196 0.000 2.017 456 L HA -0.142 4.195 4.340 -0.004 0.000 0.208 456 L C 2.998 179.713 176.870 -0.258 0.000 1.073 456 L CA 1.717 56.447 54.840 -0.184 0.000 0.745 456 L CB -0.497 41.483 42.059 -0.133 0.000 0.894 456 L HN 0.330 nan 8.230 nan 0.000 0.432 457 Q N -0.474 119.036 119.800 -0.483 0.000 2.096 457 Q HA -0.261 4.077 4.340 -0.004 0.000 0.204 457 Q C 2.386 178.234 176.000 -0.253 0.000 0.982 457 Q CA 2.142 57.660 55.803 -0.475 0.000 0.850 457 Q CB -0.098 28.142 28.738 -0.831 0.000 0.901 457 Q HN 0.394 nan 8.270 nan 0.000 0.422 458 S N -0.272 115.296 115.700 -0.220 0.000 2.359 458 S HA -0.234 4.234 4.470 -0.004 0.000 0.224 458 S C 1.894 176.436 174.600 -0.097 0.000 1.035 458 S CA 1.810 59.931 58.200 -0.132 0.000 1.018 458 S CB -0.147 62.986 63.200 -0.111 0.000 0.876 458 S HN 0.523 nan 8.310 nan 0.000 0.448 459 Q N -0.008 119.734 119.800 -0.096 0.000 2.083 459 Q HA -0.025 4.312 4.340 -0.004 0.000 0.198 459 Q C 2.402 178.367 176.000 -0.059 0.000 0.969 459 Q CA 1.516 57.281 55.803 -0.063 0.000 0.838 459 Q CB -0.397 28.311 28.738 -0.049 0.000 0.900 459 Q HN 0.628 nan 8.270 nan 0.000 0.436 460 V N -0.062 119.808 119.914 -0.073 0.000 2.358 460 V HA -0.222 3.896 4.120 -0.004 0.000 0.246 460 V C 1.918 177.984 176.094 -0.047 0.000 1.047 460 V CA 2.349 64.616 62.300 -0.055 0.000 1.035 460 V CB -0.808 30.985 31.823 -0.050 0.000 0.658 460 V HN 0.296 nan 8.190 nan 0.000 0.452 461 T N 0.426 114.945 114.554 -0.057 0.000 2.624 461 T HA -0.271 4.076 4.350 -0.004 0.000 0.268 461 T C 1.890 176.570 174.700 -0.033 0.000 1.041 461 T CA 2.521 64.596 62.100 -0.042 0.000 1.159 461 T CB -0.404 68.435 68.868 -0.049 0.000 0.863 461 T HN 0.578 nan 8.240 nan 0.000 0.434 462 K N 0.845 121.223 120.400 -0.037 0.000 2.152 462 K HA 0.035 4.352 4.320 -0.004 0.000 0.206 462 K C 2.295 178.880 176.600 -0.025 0.000 1.048 462 K CA 1.166 57.436 56.287 -0.029 0.000 0.933 462 K CB -0.147 32.336 32.500 -0.029 0.000 0.721 462 K HN 0.308 nan 8.250 nan 0.000 0.447 463 A N -0.163 122.641 122.820 -0.027 0.000 2.218 463 A HA 0.222 4.539 4.320 -0.004 0.000 0.209 463 A C 1.339 178.910 177.584 -0.021 0.000 1.168 463 A CA 0.747 52.769 52.037 -0.024 0.000 0.804 463 A CB -0.066 18.919 19.000 -0.026 0.000 0.834 463 A HN 0.381 nan 8.150 nan 0.000 0.482 464 G N -1.761 107.027 108.800 -0.020 0.000 2.132 464 G HA2 -0.033 3.924 3.960 -0.004 0.000 0.234 464 G HA3 -0.033 3.924 3.960 -0.004 0.000 0.234 464 G C 0.740 175.632 174.900 -0.014 0.000 0.989 464 G CA 0.384 45.475 45.100 -0.016 0.000 0.676 464 G HN 1.260 nan 8.290 nan 0.000 0.522 465 G N -0.806 107.984 108.800 -0.017 0.000 2.508 465 G HA2 0.586 4.543 3.960 -0.004 0.000 0.278 465 G HA3 0.586 4.543 3.960 -0.004 0.000 0.278 465 G C -0.207 174.689 174.900 -0.007 0.000 1.389 465 G CA -0.346 44.746 45.100 -0.014 0.000 1.050 465 G HN 0.308 nan 8.290 nan 0.000 0.522 466 K N -0.582 119.817 120.400 -0.001 0.000 2.427 466 K HA 0.540 4.857 4.320 -0.004 0.000 0.252 466 K C -1.418 175.199 176.600 0.028 0.000 0.931 466 K CA -0.466 55.829 56.287 0.014 0.000 0.793 466 K CB 2.744 35.254 32.500 0.017 0.000 1.211 466 K HN 0.426 nan 8.250 nan 0.000 0.426 467 I N 0.919 121.524 120.570 0.058 0.000 2.769 467 I HA 0.426 4.594 4.170 -0.004 0.000 0.298 467 I C -0.969 175.259 176.117 0.184 0.000 1.128 467 I CA -0.333 61.033 61.300 0.111 0.000 1.031 467 I CB 2.371 40.421 38.000 0.083 0.000 1.235 467 I HN 0.777 nan 8.210 nan 0.000 0.423 468 T N 4.426 119.099 114.554 0.198 0.000 2.903 468 T HA 0.568 4.916 4.350 -0.004 0.000 0.299 468 T C -1.334 173.404 174.700 0.063 0.000 1.093 468 T CA -0.720 61.467 62.100 0.145 0.000 1.002 468 T CB 1.748 70.663 68.868 0.078 0.000 1.127 468 T HN 0.467 nan 8.240 nan 0.000 0.488 469 L N 2.161 123.265 121.223 -0.198 0.000 2.282 469 L HA 0.803 5.141 4.340 -0.004 0.000 0.288 469 L C -0.318 176.419 176.870 -0.221 0.000 1.033 469 L CA 0.202 54.770 54.840 -0.452 0.000 0.807 469 L CB 1.562 42.955 42.059 -1.109 0.000 1.209 469 L HN 0.942 nan 8.230 nan 0.000 0.423 470 S N 3.115 118.734 115.700 -0.135 0.000 2.680 470 S HA 0.319 4.786 4.470 -0.004 0.000 0.262 470 S C 0.505 175.073 174.600 -0.053 0.000 1.138 470 S CA -0.535 57.619 58.200 -0.077 0.000 1.072 470 S CB 0.655 63.844 63.200 -0.018 0.000 1.097 470 S HN 0.846 nan 8.310 nan 0.000 0.468 471 E N 2.112 122.273 120.200 -0.065 0.000 2.085 471 E HA -0.130 4.218 4.350 -0.004 0.000 0.194 471 E C 1.700 178.290 176.600 -0.017 0.000 0.994 471 E CA 1.639 58.015 56.400 -0.040 0.000 0.801 471 E CB -0.012 29.660 29.700 -0.045 0.000 0.743 471 E HN 0.785 nan 8.360 nan 0.000 0.453 472 S N -0.768 114.919 115.700 -0.022 0.000 2.603 472 S HA 0.168 4.635 4.470 -0.004 0.000 0.220 472 S C 1.474 176.080 174.600 0.009 0.000 0.967 472 S CA 0.282 58.473 58.200 -0.015 0.000 0.920 472 S CB 0.479 63.660 63.200 -0.032 0.000 0.773 472 S HN 0.387 nan 8.310 nan 0.000 0.529 473 G N 0.607 109.423 108.800 0.028 0.000 2.137 473 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.237 473 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.237 473 G C -0.341 174.632 174.900 0.121 0.000 1.002 473 G CA 0.013 45.162 45.100 0.081 0.000 0.702 473 G HN 0.614 nan 8.290 nan 0.000 0.515 474 E N -0.567 119.660 120.200 0.045 0.000 2.343 474 E HA 0.618 4.966 4.350 -0.004 0.000 0.269 474 E C 0.000 176.632 176.600 0.052 0.000 1.047 474 E CA -0.421 55.956 56.400 -0.039 0.000 0.874 474 E CB 0.609 30.266 29.700 -0.073 0.000 1.033 474 E HN 0.680 nan 8.360 nan 0.000 0.409 475 Y N -1.729 118.565 120.300 -0.010 0.000 2.581 475 Y HA 0.374 4.920 4.550 -0.005 0.000 0.337 475 Y C 0.314 176.212 175.900 -0.003 0.000 1.108 475 Y CA -0.976 57.121 58.100 -0.006 0.000 1.033 475 Y CB 0.865 39.325 38.460 -0.000 0.000 1.318 475 Y HN 0.276 nan 8.280 nan 0.000 0.459 476 T N 0.245 114.898 114.554 0.166 0.000 2.755 476 T HA 0.039 4.386 4.350 -0.004 0.000 0.251 476 T C 0.253 175.075 174.700 0.203 0.000 1.044 476 T CA 1.150 63.314 62.100 0.108 0.000 1.154 476 T CB -0.320 68.587 68.868 0.064 0.000 0.866 476 T HN 0.635 nan 8.240 nan 0.000 0.416 477 S N 1.905 117.724 115.700 0.198 0.000 2.499 477 S HA 0.436 4.904 4.470 -0.004 0.000 0.279 477 S C -0.259 174.422 174.600 0.135 0.000 1.219 477 S CA -0.845 57.448 58.200 0.155 0.000 1.062 477 S CB 1.465 64.706 63.200 0.068 0.000 0.978 477 S HN 0.211 nan 8.310 nan 0.000 0.489 478 K N 4.024 124.465 120.400 0.068 0.000 2.466 478 K HA 0.049 4.367 4.320 -0.004 0.000 0.278 478 K C -2.114 174.325 176.600 -0.269 0.000 1.048 478 K CA -0.956 55.165 56.287 -0.277 0.000 1.088 478 K CB 0.112 32.556 32.500 -0.092 0.000 0.884 478 K HN 0.324 nan 8.250 nan 0.000 0.478 479 P HA 0.093 nan 4.420 nan 0.000 0.276 479 P C -0.503 176.706 177.300 -0.151 0.000 1.244 479 P CA -0.340 62.634 63.100 -0.210 0.000 0.801 479 P CB 0.824 32.398 31.700 -0.209 0.000 1.006 480 D N -0.688 119.657 120.400 -0.090 0.000 2.219 480 D HA -0.006 4.631 4.640 -0.004 0.000 0.205 480 D C 0.531 176.792 176.300 -0.064 0.000 0.970 480 D CA 1.278 55.238 54.000 -0.067 0.000 0.851 480 D CB 0.203 40.975 40.800 -0.046 0.000 0.943 480 D HN 0.097 nan 8.370 nan 0.000 0.488 481 V N -0.638 119.236 119.914 -0.067 0.000 3.023 481 V HA 0.544 4.662 4.120 -0.004 0.000 0.294 481 V C -1.894 174.172 176.094 -0.047 0.000 1.324 481 V CA -0.887 61.384 62.300 -0.049 0.000 0.979 481 V CB 2.042 33.847 31.823 -0.030 0.000 1.093 481 V HN 0.042 nan 8.190 nan 0.000 0.434 482 A N 7.134 129.931 122.820 -0.038 0.000 2.271 482 A HA 0.831 5.148 4.320 -0.004 0.000 0.317 482 A C -0.563 177.020 177.584 -0.002 0.000 1.245 482 A CA -0.501 51.524 52.037 -0.019 0.000 0.857 482 A CB 0.562 19.552 19.000 -0.017 0.000 1.175 482 A HN 0.817 nan 8.150 nan 0.000 0.512 483 I N 3.436 124.012 120.570 0.011 0.000 2.304 483 I HA 0.245 4.412 4.170 -0.004 0.000 0.291 483 I C -0.664 175.461 176.117 0.014 0.000 1.018 483 I CA -0.448 60.859 61.300 0.011 0.000 1.260 483 I CB 1.440 39.453 38.000 0.021 0.000 1.390 483 I HN 0.278 nan 8.210 nan 0.000 0.475 484 V N 7.772 127.685 119.914 -0.001 0.000 2.334 484 V HA 0.251 4.368 4.120 -0.004 0.000 0.281 484 V C 0.091 176.178 176.094 -0.012 0.000 1.016 484 V CA -0.661 61.643 62.300 0.007 0.000 0.832 484 V CB 1.614 33.449 31.823 0.020 0.000 0.999 484 V HN 0.380 nan 8.190 nan 0.000 0.439 485 V N 7.470 127.383 119.914 -0.001 0.000 2.348 485 V HA 0.557 4.675 4.120 -0.004 0.000 0.270 485 V C -0.020 176.078 176.094 0.007 0.000 1.037 485 V CA -0.213 62.076 62.300 -0.019 0.000 0.872 485 V CB 0.753 32.565 31.823 -0.018 0.000 1.002 485 V HN 0.817 nan 8.190 nan 0.000 0.464 486 I N 2.024 122.602 120.570 0.013 0.000 3.074 486 I HA 1.120 5.288 4.170 -0.004 0.000 0.310 486 I C 0.171 176.298 176.117 0.017 0.000 1.153 486 I CA -0.662 60.702 61.300 0.105 0.000 0.993 486 I CB 2.544 40.689 38.000 0.242 0.000 1.237 486 I HN 0.717 nan 8.210 nan 0.000 0.443 487 G N 1.741 110.626 108.800 0.143 0.000 2.344 487 G HA2 0.178 4.135 3.960 -0.004 0.000 0.282 487 G HA3 0.178 4.135 3.960 -0.004 0.000 0.282 487 G C -1.746 173.290 174.900 0.227 0.000 1.281 487 G CA -0.910 44.114 45.100 -0.128 0.000 0.877 487 G HN 0.786 nan 8.290 nan 0.000 0.494 488 E N 0.792 121.035 120.200 0.072 0.000 2.398 488 E HA 0.260 4.608 4.350 -0.004 0.000 0.263 488 E C -0.147 176.515 176.600 0.104 0.000 1.046 488 E CA -0.228 56.304 56.400 0.220 0.000 0.908 488 E CB 0.754 30.608 29.700 0.256 0.000 0.963 488 E HN 0.304 nan 8.360 nan 0.000 0.431 489 E N 2.906 123.186 120.200 0.134 0.000 2.404 489 E HA 0.105 4.453 4.350 -0.004 0.000 0.261 489 E C -2.053 174.567 176.600 0.034 0.000 1.074 489 E CA -1.872 54.568 56.400 0.067 0.000 0.917 489 E CB -0.135 29.610 29.700 0.076 0.000 0.965 489 E HN 0.297 nan 8.360 nan 0.000 0.433 490 P HA 0.070 nan 4.420 nan 0.000 0.271 490 P C -0.921 176.251 177.300 -0.212 0.000 1.218 490 P CA 0.284 63.219 63.100 -0.276 0.000 0.780 490 P CB 0.152 31.723 31.700 -0.215 0.000 0.901 491 Y N -1.236 118.909 120.300 -0.258 0.000 2.689 491 Y HA 0.795 5.344 4.550 -0.001 0.000 0.333 491 Y C -1.701 173.937 175.900 -0.438 0.000 1.208 491 Y CA -1.769 56.122 58.100 -0.348 0.000 1.055 491 Y CB 0.541 38.884 38.460 -0.196 0.000 1.304 491 Y HN 0.600 nan 8.280 nan 0.000 0.455 492 A N 0.935 123.420 122.820 -0.558 0.000 2.486 492 A HA 0.769 5.087 4.320 -0.004 0.000 0.300 492 A C -0.459 176.762 177.584 -0.604 0.000 1.048 492 A CA -0.135 51.469 52.037 -0.722 0.000 0.696 492 A CB 1.138 19.148 19.000 -1.650 0.000 1.278 492 A HN 1.033 nan 8.150 nan 0.000 0.405 493 E N -0.955 119.121 120.200 -0.207 0.000 3.303 493 E HA -0.362 3.985 4.350 -0.004 0.000 0.309 493 E C 0.768 177.366 176.600 -0.004 0.000 1.470 493 E CA 2.182 58.569 56.400 -0.021 0.000 1.869 493 E CB -0.904 28.891 29.700 0.159 0.000 1.914 493 E HN 1.328 nan 8.360 nan 0.000 0.498 494 W N 0.404 121.806 121.300 0.170 0.000 2.465 494 W HA 0.073 4.732 4.660 -0.001 0.000 0.268 494 W C 1.826 178.400 176.519 0.091 0.000 1.242 494 W CA 0.615 58.039 57.345 0.131 0.000 1.248 494 W CB -0.724 28.799 29.460 0.105 0.000 1.118 494 W HN 0.350 nan 8.180 nan 0.000 0.587 495 F N 1.517 121.098 119.950 -0.615 0.000 2.333 495 F HA -0.016 4.510 4.527 -0.002 0.000 0.300 495 F C 2.486 178.091 175.800 -0.326 0.000 1.083 495 F CA 1.148 58.877 58.000 -0.451 0.000 1.395 495 F CB -0.454 38.174 39.000 -0.620 0.000 1.056 495 F HN 0.127 nan 8.300 nan 0.000 0.529 496 G N -1.481 107.204 108.800 -0.191 0.000 3.088 496 G HA2 -0.018 3.940 3.960 -0.004 0.000 0.217 496 G HA3 -0.018 3.940 3.960 -0.004 0.000 0.217 496 G C -0.205 174.459 174.900 -0.394 0.000 1.159 496 G CA -0.259 44.436 45.100 -0.675 0.000 0.760 496 G HN 0.018 nan 8.290 nan 0.000 0.550 497 D N 1.150 121.487 120.400 -0.105 0.000 2.458 497 D HA 0.323 4.960 4.640 -0.004 0.000 0.243 497 D C 0.792 177.072 176.300 -0.033 0.000 1.146 497 D CA 0.380 54.387 54.000 0.012 0.000 0.877 497 D CB 1.203 42.074 40.800 0.117 0.000 1.176 497 D HN 0.435 nan 8.370 nan 0.000 0.461 498 I N -2.195 118.371 120.570 -0.006 0.000 3.145 498 I HA 0.448 4.615 4.170 -0.004 0.000 0.313 498 I C 0.281 176.396 176.117 -0.004 0.000 1.122 498 I CA -0.865 60.440 61.300 0.008 0.000 0.987 498 I CB 2.273 40.299 38.000 0.043 0.000 1.236 498 I HN 0.126 nan 8.210 nan 0.000 0.453 499 E N 0.950 121.146 120.200 -0.008 0.000 2.434 499 E HA 0.291 4.639 4.350 -0.004 0.000 0.207 499 E C -0.754 175.838 176.600 -0.013 0.000 0.929 499 E CA -0.013 56.339 56.400 -0.080 0.000 1.001 499 E CB 0.940 30.591 29.700 -0.081 0.000 1.016 499 E HN 0.286 nan 8.360 nan 0.000 0.502 500 L N 1.132 122.381 121.223 0.044 0.000 2.346 500 L HA 0.289 4.626 4.340 -0.004 0.000 0.276 500 L C 0.661 177.645 176.870 0.191 0.000 1.006 500 L CA -0.070 54.808 54.840 0.063 0.000 0.817 500 L CB 1.645 43.499 42.059 -0.341 0.000 1.272 500 L HN 0.049 nan 8.230 nan 0.000 0.421 501 L N 0.893 122.262 121.223 0.244 0.000 2.418 501 L HA 0.109 4.447 4.340 -0.004 0.000 0.218 501 L C 0.960 178.034 176.870 0.340 0.000 1.125 501 L CA 0.219 55.215 54.840 0.260 0.000 0.835 501 L CB 0.084 42.244 42.059 0.167 0.000 0.953 501 L HN 0.680 nan 8.230 nan 0.000 0.454 502 E N 1.093 121.495 120.200 0.338 0.000 2.366 502 E HA -0.071 4.276 4.350 -0.004 0.000 0.266 502 E C -0.418 176.478 176.600 0.493 0.000 1.015 502 E CA -0.562 56.145 56.400 0.511 0.000 0.906 502 E CB 0.515 30.505 29.700 0.483 0.000 0.979 502 E HN -0.025 nan 8.360 nan 0.000 0.443 503 F N 4.549 124.696 119.950 0.328 0.000 2.578 503 F HA -0.015 4.509 4.527 -0.005 0.000 0.381 503 F C 0.490 176.430 175.800 0.234 0.000 1.069 503 F CA 0.464 58.640 58.000 0.294 0.000 1.231 503 F CB 0.134 39.319 39.000 0.307 0.000 1.086 503 F HN 0.703 nan 8.300 nan 0.000 0.564 504 Q N 3.559 123.101 119.800 -0.430 0.000 2.435 504 Q HA -0.349 3.989 4.340 -0.004 0.000 0.312 504 Q C 1.036 176.892 176.000 -0.240 0.000 1.333 504 Q CA 1.098 56.607 55.803 -0.491 0.000 0.883 504 Q CB -1.518 26.768 28.738 -0.754 0.000 1.170 504 Q HN 1.002 nan 8.270 nan 0.000 0.443 505 H N -1.749 117.293 119.070 -0.047 0.000 2.456 505 H HA -0.064 4.490 4.556 -0.004 0.000 0.296 505 H C 1.471 176.779 175.328 -0.034 0.000 1.079 505 H CA 1.485 57.539 56.048 0.010 0.000 1.322 505 H CB 0.189 29.988 29.762 0.063 0.000 1.388 505 H HN 0.335 nan 8.280 nan 0.000 0.538 506 E N 0.071 119.931 120.200 -0.567 0.000 2.106 506 E HA -0.105 4.242 4.350 -0.004 0.000 0.192 506 E C 1.866 178.316 176.600 -0.250 0.000 0.984 506 E CA 1.992 58.191 56.400 -0.335 0.000 0.806 506 E CB 0.051 29.527 29.700 -0.373 0.000 0.750 506 E HN 0.833 nan 8.360 nan 0.000 0.458 507 T N -3.113 111.242 114.554 -0.333 0.000 2.989 507 T HA 0.087 4.434 4.350 -0.004 0.000 0.250 507 T C 0.669 175.119 174.700 -0.417 0.000 0.981 507 T CA -0.258 61.544 62.100 -0.495 0.000 0.980 507 T CB 0.428 68.785 68.868 -0.852 0.000 1.133 507 T HN -0.208 nan 8.240 nan 0.000 0.489 508 K N 1.473 121.712 120.400 -0.268 0.000 3.035 508 K HA -0.211 4.106 4.320 -0.004 0.000 0.262 508 K C 0.457 177.035 176.600 -0.036 0.000 1.024 508 K CA 0.818 57.036 56.287 -0.116 0.000 0.748 508 K CB -2.199 30.288 32.500 -0.023 0.000 1.247 508 K HN 0.607 nan 8.250 nan 0.000 0.482 509 H N -0.575 118.466 119.070 -0.049 0.000 2.357 509 H HA 0.029 4.582 4.556 -0.005 0.000 0.301 509 H C 2.095 177.443 175.328 0.033 0.000 1.082 509 H CA 1.708 57.748 56.048 -0.012 0.000 1.342 509 H CB 0.032 29.778 29.762 -0.027 0.000 1.389 509 H HN 0.462 nan 8.280 nan 0.000 0.511 510 A N 0.823 123.754 122.820 0.186 0.000 1.930 510 A HA -0.096 4.222 4.320 -0.004 0.000 0.217 510 A C 2.507 180.207 177.584 0.193 0.000 1.175 510 A CA 1.126 53.297 52.037 0.223 0.000 0.627 510 A CB -0.722 18.511 19.000 0.389 0.000 0.815 510 A HN 0.302 nan 8.150 nan 0.000 0.443 511 L N -0.083 121.246 121.223 0.177 0.000 2.042 511 L HA -0.108 4.229 4.340 -0.004 0.000 0.210 511 L C 2.667 179.600 176.870 0.104 0.000 1.076 511 L CA 2.170 57.091 54.840 0.134 0.000 0.749 511 L CB -0.726 41.400 42.059 0.112 0.000 0.893 511 L HN 0.348 nan 8.230 nan 0.000 0.432 512 A N -0.599 122.285 122.820 0.105 0.000 1.908 512 A HA -0.237 4.080 4.320 -0.004 0.000 0.218 512 A C 2.254 179.886 177.584 0.080 0.000 1.181 512 A CA 2.041 54.133 52.037 0.091 0.000 0.627 512 A CB -1.096 17.970 19.000 0.109 0.000 0.818 512 A HN 0.511 nan 8.150 nan 0.000 0.445 513 L N -0.173 121.102 121.223 0.087 0.000 2.012 513 L HA -0.145 4.192 4.340 -0.004 0.000 0.210 513 L C 2.306 179.221 176.870 0.075 0.000 1.073 513 L CA 1.867 56.752 54.840 0.074 0.000 0.748 513 L CB -0.562 41.542 42.059 0.076 0.000 0.891 513 L HN 0.413 nan 8.230 nan 0.000 0.431 514 L N -0.656 120.618 121.223 0.085 0.000 2.017 514 L HA -0.239 4.098 4.340 -0.004 0.000 0.208 514 L C 2.627 179.533 176.870 0.060 0.000 1.073 514 L CA 1.676 56.560 54.840 0.074 0.000 0.745 514 L CB -0.649 41.461 42.059 0.086 0.000 0.894 514 L HN 0.238 nan 8.230 nan 0.000 0.432 515 K N -0.396 120.039 120.400 0.059 0.000 2.097 515 K HA -0.241 4.077 4.320 -0.004 0.000 0.206 515 K C 2.153 178.782 176.600 0.049 0.000 1.049 515 K CA 1.262 57.578 56.287 0.049 0.000 0.933 515 K CB -0.124 32.404 32.500 0.047 0.000 0.717 515 K HN 0.314 nan 8.250 nan 0.000 0.442 516 Q N 1.066 120.899 119.800 0.055 0.000 2.061 516 Q HA -0.176 4.162 4.340 -0.004 0.000 0.204 516 Q C 2.009 178.051 176.000 0.070 0.000 0.984 516 Q CA 1.435 57.273 55.803 0.057 0.000 0.846 516 Q CB -0.049 28.724 28.738 0.057 0.000 0.902 516 Q HN 0.286 nan 8.270 nan 0.000 0.421 517 L N 0.321 121.587 121.223 0.071 0.000 2.141 517 L HA -0.153 4.185 4.340 -0.004 0.000 0.209 517 L C 2.472 179.370 176.870 0.047 0.000 1.094 517 L CA 0.730 55.612 54.840 0.071 0.000 0.763 517 L CB -0.288 41.805 42.059 0.055 0.000 0.908 517 L HN 0.070 nan 8.230 nan 0.000 0.437 518 K N 0.607 121.031 120.400 0.041 0.000 2.057 518 K HA -0.019 4.298 4.320 -0.004 0.000 0.206 518 K C 2.142 178.761 176.600 0.030 0.000 1.050 518 K CA 1.356 57.661 56.287 0.029 0.000 0.935 518 K CB -0.591 31.925 32.500 0.026 0.000 0.715 518 K HN 0.201 nan 8.250 nan 0.000 0.439 519 A N 0.906 123.748 122.820 0.037 0.000 1.978 519 A HA -0.171 4.147 4.320 -0.004 0.000 0.220 519 A C 1.398 179.008 177.584 0.043 0.000 1.170 519 A CA 2.054 54.113 52.037 0.037 0.000 0.636 519 A CB -0.453 18.570 19.000 0.038 0.000 0.810 519 A HN 0.252 nan 8.150 nan 0.000 0.448 520 D N -1.090 119.344 120.400 0.058 0.000 2.349 520 D HA 0.004 4.641 4.640 -0.004 0.000 0.224 520 D C 0.459 176.783 176.300 0.041 0.000 1.029 520 D CA 0.351 54.395 54.000 0.073 0.000 0.879 520 D CB -0.261 40.616 40.800 0.130 0.000 0.906 520 D HN 0.416 nan 8.370 nan 0.000 0.528 521 N N 0.011 118.726 118.700 0.025 0.000 2.747 521 N HA -0.202 4.535 4.740 -0.004 0.000 0.249 521 N C -0.927 174.577 175.510 -0.010 0.000 1.107 521 N CA 0.295 53.350 53.050 0.008 0.000 0.707 521 N CB -1.458 37.034 38.487 0.008 0.000 1.054 521 N HN 0.250 nan 8.380 nan 0.000 0.555 522 I N 0.600 121.161 120.570 -0.015 0.000 2.353 522 I HA 0.326 4.494 4.170 -0.004 0.000 0.293 522 I C -1.836 174.265 176.117 -0.027 0.000 0.992 522 I CA -2.017 59.255 61.300 -0.046 0.000 1.268 522 I CB 1.217 39.169 38.000 -0.081 0.000 1.387 522 I HN -0.039 nan 8.210 nan 0.000 0.478 523 P HA 0.065 nan 4.420 nan 0.000 0.271 523 P C -0.857 176.434 177.300 -0.015 0.000 1.216 523 P CA -0.133 62.956 63.100 -0.019 0.000 0.776 523 P CB 0.836 32.522 31.700 -0.022 0.000 0.881 524 V N 3.501 123.414 119.914 -0.003 0.000 2.588 524 V HA 0.542 4.659 4.120 -0.004 0.000 0.304 524 V C -1.073 175.025 176.094 0.005 0.000 1.042 524 V CA -0.811 61.491 62.300 0.003 0.000 0.877 524 V CB 2.198 34.029 31.823 0.014 0.000 0.996 524 V HN 0.157 nan 8.190 nan 0.000 0.425 525 V N 5.502 125.415 119.914 -0.002 0.000 2.334 525 V HA 0.441 4.558 4.120 -0.004 0.000 0.281 525 V C 0.476 176.543 176.094 -0.046 0.000 1.016 525 V CA -0.139 62.155 62.300 -0.010 0.000 0.832 525 V CB 1.571 33.398 31.823 0.006 0.000 0.999 525 V HN 1.035 nan 8.190 nan 0.000 0.439 526 T N 4.883 119.377 114.554 -0.101 0.000 2.771 526 T HA 0.445 4.792 4.350 -0.004 0.000 0.291 526 T C -0.080 174.404 174.700 -0.360 0.000 0.954 526 T CA -0.214 61.750 62.100 -0.227 0.000 1.045 526 T CB 1.335 70.010 68.868 -0.321 0.000 0.917 526 T HN 0.335 nan 8.240 nan 0.000 0.484 527 V N 4.957 124.720 119.914 -0.251 0.000 2.328 527 V HA 0.389 4.506 4.120 -0.004 0.000 0.278 527 V C -0.571 175.386 176.094 -0.228 0.000 1.021 527 V CA -0.881 61.279 62.300 -0.232 0.000 0.838 527 V CB 0.518 32.271 31.823 -0.117 0.000 0.999 527 V HN 0.788 nan 8.190 nan 0.000 0.447 528 F N 6.541 126.171 119.950 -0.534 0.000 2.385 528 F HA 0.616 5.141 4.527 -0.002 0.000 0.360 528 F C -0.288 175.335 175.800 -0.295 0.000 1.122 528 F CA -0.890 56.831 58.000 -0.465 0.000 1.090 528 F CB 0.917 39.548 39.000 -0.615 0.000 1.150 528 F HN 0.304 nan 8.300 nan 0.000 0.472 529 L N 6.508 127.355 121.223 -0.627 0.000 2.264 529 L HA 0.623 4.960 4.340 -0.004 0.000 0.289 529 L C -0.303 176.158 176.870 -0.683 0.000 1.044 529 L CA -0.411 54.139 54.840 -0.484 0.000 0.807 529 L CB 1.091 42.980 42.059 -0.283 0.000 1.192 529 L HN 0.761 nan 8.230 nan 0.000 0.425 530 S N 0.548 115.987 115.700 -0.436 0.000 2.567 530 S HA 0.469 4.937 4.470 -0.004 0.000 0.270 530 S C 0.059 174.668 174.600 0.015 0.000 1.152 530 S CA -0.254 57.775 58.200 -0.285 0.000 0.835 530 S CB 1.460 64.427 63.200 -0.388 0.000 1.115 530 S HN 0.623 nan 8.310 nan 0.000 0.459 531 G N 0.494 109.345 108.800 0.085 0.000 3.371 531 G HA2 0.516 4.473 3.960 -0.004 0.000 0.248 531 G HA3 0.516 4.473 3.960 -0.004 0.000 0.248 531 G C 0.229 175.248 174.900 0.199 0.000 1.161 531 G CA -0.384 44.813 45.100 0.163 0.000 0.796 531 G HN 1.039 nan 8.290 nan 0.000 0.539 532 R N -2.215 118.433 120.500 0.246 0.000 3.112 532 R HA 0.252 4.590 4.340 -0.004 0.000 0.271 532 R C -3.652 172.733 176.300 0.141 0.000 1.008 532 R CA -1.477 54.684 56.100 0.101 0.000 0.903 532 R CB -0.186 30.133 30.300 0.032 0.000 1.267 532 R HN -0.188 nan 8.270 nan 0.000 0.514 533 P HA 0.207 nan 4.420 nan 0.000 0.269 533 P C -0.707 176.305 177.300 -0.481 0.000 1.209 533 P CA -0.127 62.474 63.100 -0.832 0.000 0.776 533 P CB 0.561 31.771 31.700 -0.817 0.000 0.876 534 L N 0.959 121.880 121.223 -0.504 0.000 2.303 534 L HA 0.499 4.836 4.340 -0.004 0.000 0.256 534 L C -0.668 176.218 176.870 0.026 0.000 1.034 534 L CA -0.965 53.865 54.840 -0.017 0.000 0.832 534 L CB 1.698 43.946 42.059 0.314 0.000 1.403 534 L HN 0.381 nan 8.230 nan 0.000 0.419 535 W N 2.080 123.401 121.300 0.035 0.000 2.546 535 W HA 0.419 5.076 4.660 -0.004 0.000 0.323 535 W C 0.266 176.858 176.519 0.123 0.000 1.272 535 W CA -0.407 56.975 57.345 0.061 0.000 1.404 535 W CB 0.702 30.184 29.460 0.037 0.000 1.411 535 W HN 0.157 nan 8.180 nan 0.000 0.480 536 V N 3.206 122.873 119.914 -0.411 0.000 2.909 536 V HA 0.194 4.311 4.120 -0.004 0.000 0.362 536 V C 1.019 176.683 176.094 -0.716 0.000 1.356 536 V CA -0.330 61.691 62.300 -0.465 0.000 1.195 536 V CB -0.001 31.567 31.823 -0.424 0.000 1.256 536 V HN 0.511 nan 8.190 nan 0.000 0.567 537 N N 2.351 120.352 118.700 -1.165 0.000 2.094 537 N HA -0.149 4.589 4.740 -0.004 0.000 0.191 537 N C 1.585 176.781 175.510 -0.523 0.000 1.023 537 N CA 2.103 54.658 53.050 -0.825 0.000 0.857 537 N CB -0.246 37.750 38.487 -0.817 0.000 1.013 537 N HN 0.625 nan 8.380 nan 0.000 0.426 538 K N 0.603 120.701 120.400 -0.504 0.000 2.009 538 K HA -0.130 4.188 4.320 -0.004 0.000 0.210 538 K C 1.887 178.403 176.600 -0.140 0.000 1.049 538 K CA 1.409 57.566 56.287 -0.217 0.000 0.929 538 K CB -0.142 32.294 32.500 -0.107 0.000 0.714 538 K HN 0.150 nan 8.250 nan 0.000 0.440 539 E N 1.079 121.203 120.200 -0.126 0.000 2.110 539 E HA -0.123 4.225 4.350 -0.004 0.000 0.193 539 E C 1.937 178.500 176.600 -0.061 0.000 0.988 539 E CA 0.802 57.195 56.400 -0.011 0.000 0.804 539 E CB -0.155 29.607 29.700 0.104 0.000 0.745 539 E HN 0.177 nan 8.360 nan 0.000 0.458 540 L N 0.813 121.861 121.223 -0.291 0.000 2.083 540 L HA -0.190 4.147 4.340 -0.004 0.000 0.209 540 L C 1.764 178.535 176.870 -0.165 0.000 1.083 540 L CA 0.874 55.504 54.840 -0.351 0.000 0.752 540 L CB -0.293 41.431 42.059 -0.558 0.000 0.899 540 L HN 0.171 nan 8.230 nan 0.000 0.433 541 N N 0.142 118.751 118.700 -0.153 0.000 2.244 541 N HA -0.103 4.634 4.740 -0.004 0.000 0.183 541 N C 1.514 177.000 175.510 -0.040 0.000 1.016 541 N CA 1.335 54.331 53.050 -0.090 0.000 0.866 541 N CB -0.192 38.243 38.487 -0.086 0.000 0.980 541 N HN 0.269 nan 8.380 nan 0.000 0.430 542 A N -0.459 122.349 122.820 -0.020 0.000 2.302 542 A HA 0.265 4.583 4.320 -0.004 0.000 0.219 542 A C 0.253 177.855 177.584 0.030 0.000 1.243 542 A CA -0.041 52.003 52.037 0.013 0.000 0.856 542 A CB 0.092 19.111 19.000 0.031 0.000 0.893 542 A HN 0.058 nan 8.150 nan 0.000 0.491 543 S N -0.366 115.352 115.700 0.030 0.000 2.526 543 S HA 0.333 4.800 4.470 -0.004 0.000 0.293 543 S C -0.213 174.403 174.600 0.027 0.000 1.092 543 S CA -0.707 57.525 58.200 0.053 0.000 0.980 543 S CB 1.673 64.957 63.200 0.141 0.000 1.048 543 S HN 0.388 nan 8.310 nan 0.000 0.483 544 D N 1.374 121.786 120.400 0.021 0.000 2.162 544 D HA 0.164 4.801 4.640 -0.004 0.000 0.205 544 D C 0.663 176.969 176.300 0.010 0.000 0.964 544 D CA 0.702 54.707 54.000 0.008 0.000 0.847 544 D CB 0.278 41.079 40.800 0.003 0.000 0.988 544 D HN 0.556 nan 8.370 nan 0.000 0.480 545 A N 0.027 122.859 122.820 0.020 0.000 2.380 545 A HA 0.617 4.934 4.320 -0.004 0.000 0.315 545 A C -1.601 176.018 177.584 0.057 0.000 1.101 545 A CA -0.538 51.508 52.037 0.016 0.000 0.771 545 A CB 1.764 20.770 19.000 0.011 0.000 1.287 545 A HN 0.096 nan 8.150 nan 0.000 0.436 546 F N 1.670 121.517 119.950 -0.171 0.000 2.607 546 F HA 0.559 5.085 4.527 -0.002 0.000 0.322 546 F C -1.331 174.310 175.800 -0.266 0.000 1.176 546 F CA -0.494 57.381 58.000 -0.207 0.000 0.977 546 F CB 1.881 40.721 39.000 -0.268 0.000 1.242 546 F HN 0.403 nan 8.300 nan 0.000 0.465 547 V N 5.474 125.196 119.914 -0.320 0.000 2.384 547 V HA 0.655 4.773 4.120 -0.004 0.000 0.287 547 V C -0.034 175.885 176.094 -0.292 0.000 1.020 547 V CA -0.764 61.406 62.300 -0.217 0.000 0.850 547 V CB 1.451 33.240 31.823 -0.057 0.000 0.987 547 V HN 0.898 nan 8.190 nan 0.000 0.436 548 A N 3.806 126.470 122.820 -0.260 0.000 2.376 548 A HA 0.662 4.980 4.320 -0.004 0.000 0.298 548 A C 1.014 178.212 177.584 -0.644 0.000 1.271 548 A CA 0.305 52.066 52.037 -0.460 0.000 0.926 548 A CB 0.529 19.135 19.000 -0.656 0.000 1.141 548 A HN 1.267 nan 8.150 nan 0.000 0.539 549 A N 2.619 125.146 122.820 -0.489 0.000 2.348 549 A HA 0.460 4.778 4.320 -0.004 0.000 0.224 549 A C 0.679 178.183 177.584 -0.133 0.000 1.227 549 A CA 0.325 52.203 52.037 -0.266 0.000 0.885 549 A CB -0.799 18.122 19.000 -0.132 0.000 0.933 549 A HN 1.203 nan 8.150 nan 0.000 0.506 550 W N -1.778 119.557 121.300 0.057 0.000 2.245 550 W HA -0.301 4.355 4.660 -0.007 0.000 0.286 550 W C 0.133 176.613 176.519 -0.066 0.000 1.350 550 W CA 0.598 57.956 57.345 0.022 0.000 1.307 550 W CB -1.342 28.172 29.460 0.090 0.000 0.894 550 W HN 0.079 nan 8.180 nan 0.000 0.518 551 L N 2.023 123.390 121.223 0.240 0.000 2.457 551 L HA 0.240 4.577 4.340 -0.004 0.000 0.252 551 L C -1.608 175.309 176.870 0.078 0.000 1.132 551 L CA -1.632 53.245 54.840 0.061 0.000 0.938 551 L CB 1.135 43.195 42.059 0.002 0.000 1.246 551 L HN -0.038 nan 8.230 nan 0.000 0.476 552 P HA -0.033 nan 4.420 nan 0.000 0.226 552 P C 1.027 178.322 177.300 -0.008 0.000 1.153 552 P CA 1.189 64.312 63.100 0.040 0.000 0.777 552 P CB 0.581 32.281 31.700 0.000 0.000 0.794 553 G N 0.454 109.224 108.800 -0.049 0.000 2.488 553 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.237 553 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.237 553 G C 1.082 175.872 174.900 -0.182 0.000 1.209 553 G CA 0.529 45.572 45.100 -0.095 0.000 0.929 553 G HN 0.305 nan 8.290 nan 0.000 0.578 554 S N -0.250 115.323 115.700 -0.213 0.000 2.470 554 S HA 0.174 4.641 4.470 -0.004 0.000 0.225 554 S C 0.841 175.331 174.600 -0.184 0.000 1.006 554 S CA 1.694 59.760 58.200 -0.223 0.000 0.934 554 S CB 0.227 63.305 63.200 -0.204 0.000 0.778 554 S HN 0.575 nan 8.310 nan 0.000 0.517 555 E N 2.102 122.204 120.200 -0.165 0.000 2.201 555 E HA 0.338 4.685 4.350 -0.004 0.000 0.272 555 E C 1.195 177.724 176.600 -0.118 0.000 1.228 555 E CA -0.137 56.182 56.400 -0.136 0.000 1.305 555 E CB -0.112 29.508 29.700 -0.133 0.000 1.381 555 E HN 0.517 nan 8.360 nan 0.000 0.475 556 G N 1.299 110.028 108.800 -0.119 0.000 2.499 556 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.221 556 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.221 556 G C 1.314 176.155 174.900 -0.098 0.000 1.109 556 G CA 0.468 45.507 45.100 -0.103 0.000 0.749 556 G HN 0.407 nan 8.290 nan 0.000 0.568 557 E N 0.158 120.297 120.200 -0.103 0.000 2.347 557 E HA 0.027 4.375 4.350 -0.004 0.000 0.196 557 E C 2.581 179.109 176.600 -0.120 0.000 1.008 557 E CA 0.460 56.798 56.400 -0.103 0.000 0.852 557 E CB -0.369 29.274 29.700 -0.096 0.000 0.783 557 E HN 0.353 nan 8.360 nan 0.000 0.505 558 G N 0.349 109.067 108.800 -0.136 0.000 2.462 558 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.220 558 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.220 558 G C 1.531 176.329 174.900 -0.169 0.000 1.121 558 G CA 0.873 45.866 45.100 -0.179 0.000 0.758 558 G HN 0.201 nan 8.290 nan 0.000 0.559 559 V N 1.345 121.186 119.914 -0.122 0.000 2.307 559 V HA -0.093 4.024 4.120 -0.004 0.000 0.245 559 V C 3.302 179.341 176.094 -0.092 0.000 1.045 559 V CA 1.922 64.160 62.300 -0.103 0.000 1.024 559 V CB -0.922 30.859 31.823 -0.071 0.000 0.651 559 V HN 0.459 nan 8.190 nan 0.000 0.449 560 A N 0.100 122.873 122.820 -0.078 0.000 1.908 560 A HA -0.297 4.021 4.320 -0.004 0.000 0.218 560 A C 1.960 179.523 177.584 -0.034 0.000 1.181 560 A CA 2.162 54.166 52.037 -0.055 0.000 0.627 560 A CB -0.791 18.169 19.000 -0.066 0.000 0.818 560 A HN 0.541 nan 8.150 nan 0.000 0.445 561 D N -0.525 119.839 120.400 -0.060 0.000 2.172 561 D HA -0.125 4.512 4.640 -0.004 0.000 0.196 561 D C 1.923 178.266 176.300 0.071 0.000 0.999 561 D CA 1.684 55.684 54.000 -0.000 0.000 0.856 561 D CB -0.211 40.442 40.800 -0.244 0.000 0.934 561 D HN 0.310 nan 8.370 nan 0.000 0.453 562 V N 0.234 120.102 119.914 -0.077 0.000 2.581 562 V HA -0.019 4.098 4.120 -0.004 0.000 0.240 562 V C 2.434 178.530 176.094 0.003 0.000 1.054 562 V CA 0.439 62.654 62.300 -0.142 0.000 1.076 562 V CB -0.160 31.322 31.823 -0.569 0.000 0.748 562 V HN 0.143 nan 8.190 nan 0.000 0.474 563 L N -0.239 120.991 121.223 0.012 0.000 2.291 563 L HA 0.031 4.368 4.340 -0.004 0.000 0.214 563 L C 0.549 177.477 176.870 0.097 0.000 1.120 563 L CA 0.667 55.586 54.840 0.133 0.000 0.799 563 L CB -0.245 41.870 42.059 0.092 0.000 0.925 563 L HN 0.250 nan 8.230 nan 0.000 0.446 564 L N -0.269 120.987 121.223 0.054 0.000 2.331 564 L HA 0.301 4.638 4.340 -0.004 0.000 0.275 564 L C 0.752 177.633 176.870 0.017 0.000 1.022 564 L CA -0.278 54.574 54.840 0.019 0.000 0.812 564 L CB 1.589 43.649 42.059 0.002 0.000 1.257 564 L HN 0.027 nan 8.230 nan 0.000 0.435 565 T N -0.506 114.036 114.554 -0.020 0.000 2.726 565 T HA 0.279 4.626 4.350 -0.004 0.000 0.294 565 T C 0.493 175.183 174.700 -0.016 0.000 1.013 565 T CA -0.674 61.408 62.100 -0.030 0.000 0.996 565 T CB 0.279 69.116 68.868 -0.053 0.000 1.016 565 T HN 0.632 nan 8.240 nan 0.000 0.529 566 N N 0.440 119.125 118.700 -0.024 0.000 2.285 566 N HA 0.111 4.848 4.740 -0.004 0.000 0.262 566 N C 1.044 176.538 175.510 -0.026 0.000 1.299 566 N CA -0.546 52.490 53.050 -0.023 0.000 0.930 566 N CB 0.251 38.718 38.487 -0.034 0.000 1.157 566 N HN 0.836 nan 8.380 nan 0.000 0.532 567 K N -1.472 118.913 120.400 -0.025 0.000 2.147 567 K HA -0.152 4.166 4.320 -0.004 0.000 0.205 567 K C 1.351 177.935 176.600 -0.027 0.000 1.049 567 K CA 1.287 57.559 56.287 -0.025 0.000 0.936 567 K CB -0.305 32.182 32.500 -0.022 0.000 0.722 567 K HN 0.377 nan 8.250 nan 0.000 0.446 568 Q N 0.308 120.091 119.800 -0.029 0.000 2.437 568 Q HA 0.018 4.355 4.340 -0.004 0.000 0.210 568 Q C 1.153 177.133 176.000 -0.034 0.000 0.972 568 Q CA 1.334 57.119 55.803 -0.030 0.000 0.903 568 Q CB -0.008 28.710 28.738 -0.032 0.000 0.967 568 Q HN 0.698 nan 8.270 nan 0.000 0.486 569 G N -0.477 108.301 108.800 -0.037 0.000 2.157 569 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.248 569 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.248 569 G C -0.093 174.776 174.900 -0.052 0.000 0.979 569 G CA 0.177 45.251 45.100 -0.044 0.000 0.650 569 G HN 0.259 nan 8.290 nan 0.000 0.529 570 K N 0.875 121.245 120.400 -0.051 0.000 2.087 570 K HA 0.610 4.928 4.320 -0.004 0.000 0.255 570 K C 0.720 177.284 176.600 -0.060 0.000 0.988 570 K CA -0.191 56.062 56.287 -0.056 0.000 0.915 570 K CB 0.740 33.209 32.500 -0.052 0.000 1.043 570 K HN 0.053 nan 8.250 nan 0.000 0.457 571 T N 2.645 117.164 114.554 -0.058 0.000 2.908 571 T HA -0.056 4.291 4.350 -0.004 0.000 0.301 571 T C 1.088 175.759 174.700 -0.049 0.000 1.019 571 T CA 0.234 62.317 62.100 -0.028 0.000 1.152 571 T CB 0.331 69.214 68.868 0.026 0.000 0.966 571 T HN 0.597 nan 8.240 nan 0.000 0.540 572 Q N 2.188 121.965 119.800 -0.039 0.000 2.387 572 Q HA 0.241 4.579 4.340 -0.004 0.000 0.212 572 Q C -0.340 175.398 176.000 -0.436 0.000 0.925 572 Q CA 0.456 56.143 55.803 -0.193 0.000 0.901 572 Q CB 0.456 29.142 28.738 -0.087 0.000 1.020 572 Q HN 0.541 nan 8.270 nan 0.000 0.545 573 F N 1.193 121.152 119.950 0.015 0.000 2.561 573 F HA 0.393 4.919 4.527 -0.002 0.000 0.313 573 F C -0.569 175.225 175.800 -0.010 0.000 1.126 573 F CA -1.324 56.662 58.000 -0.023 0.000 0.918 573 F CB 2.084 41.033 39.000 -0.084 0.000 1.199 573 F HN -0.095 nan 8.300 nan 0.000 0.444 574 D N 1.589 122.064 120.400 0.126 0.000 2.294 574 D HA 0.309 4.946 4.640 -0.004 0.000 0.250 574 D C -0.483 175.701 176.300 -0.193 0.000 1.058 574 D CA -0.265 53.708 54.000 -0.046 0.000 0.950 574 D CB 1.002 41.822 40.800 0.035 0.000 1.158 574 D HN 0.159 nan 8.370 nan 0.000 0.453 575 F N 0.092 119.815 119.950 -0.378 0.000 2.563 575 F HA 0.066 4.591 4.527 -0.003 0.000 0.363 575 F C 1.905 177.620 175.800 -0.141 0.000 1.123 575 F CA 0.562 58.416 58.000 -0.244 0.000 1.307 575 F CB 0.797 39.602 39.000 -0.325 0.000 1.115 575 F HN 0.310 nan 8.300 nan 0.000 0.592 576 T N -1.501 113.111 114.554 0.097 0.000 2.993 576 T HA 0.263 4.611 4.350 -0.004 0.000 0.260 576 T C 0.813 175.558 174.700 0.074 0.000 0.939 576 T CA 0.154 62.291 62.100 0.061 0.000 0.886 576 T CB -0.354 68.540 68.868 0.042 0.000 1.209 576 T HN 0.698 nan 8.240 nan 0.000 0.518 577 G N 2.004 110.881 108.800 0.128 0.000 2.491 577 G HA2 0.499 4.456 3.960 -0.004 0.000 0.242 577 G HA3 0.499 4.456 3.960 -0.004 0.000 0.242 577 G C -0.669 174.298 174.900 0.111 0.000 1.266 577 G CA -0.253 44.936 45.100 0.149 0.000 0.844 577 G HN 0.181 nan 8.290 nan 0.000 0.571 578 K N 1.313 121.766 120.400 0.089 0.000 2.426 578 K HA 0.319 4.636 4.320 -0.004 0.000 0.251 578 K C -0.086 176.558 176.600 0.073 0.000 0.941 578 K CA -0.871 55.442 56.287 0.042 0.000 0.808 578 K CB 2.532 35.009 32.500 -0.037 0.000 1.265 578 K HN 0.364 nan 8.250 nan 0.000 0.432 579 L N 2.064 123.372 121.223 0.143 0.000 2.540 579 L HA -0.071 4.266 4.340 -0.004 0.000 0.276 579 L C 1.406 178.221 176.870 -0.092 0.000 1.212 579 L CA 0.378 55.358 54.840 0.232 0.000 0.893 579 L CB 0.326 42.626 42.059 0.400 0.000 1.138 579 L HN 0.810 nan 8.230 nan 0.000 0.491 580 S N 1.878 117.575 115.700 -0.006 0.000 2.524 580 S HA 0.239 4.706 4.470 -0.004 0.000 0.215 580 S C 0.062 174.689 174.600 0.044 0.000 0.986 580 S CA -0.371 57.755 58.200 -0.122 0.000 0.911 580 S CB 0.149 63.312 63.200 -0.062 0.000 0.805 580 S HN 0.349 nan 8.310 nan 0.000 0.501 581 F N 1.716 121.780 119.950 0.190 0.000 2.540 581 F HA 0.539 5.063 4.527 -0.004 0.000 0.317 581 F C 0.180 176.216 175.800 0.392 0.000 1.104 581 F CA -0.871 57.300 58.000 0.284 0.000 0.913 581 F CB 2.155 41.270 39.000 0.192 0.000 1.170 581 F HN -0.119 nan 8.300 nan 0.000 0.450 582 S N 2.348 118.374 115.700 0.544 0.000 2.549 582 S HA 0.035 4.502 4.470 -0.004 0.000 0.279 582 S C -0.859 174.015 174.600 0.458 0.000 1.321 582 S CA -0.495 58.014 58.200 0.515 0.000 1.054 582 S CB 0.548 64.055 63.200 0.512 0.000 0.899 582 S HN 0.493 nan 8.310 nan 0.000 0.497 583 W N 6.001 127.475 121.300 0.290 0.000 2.331 583 W HA 0.273 4.930 4.660 -0.006 0.000 0.306 583 W C -2.703 173.861 176.519 0.075 0.000 1.162 583 W CA -2.552 54.933 57.345 0.233 0.000 1.232 583 W CB 1.124 30.768 29.460 0.308 0.000 1.235 583 W HN 0.402 nan 8.180 nan 0.000 0.479 584 P HA 0.034 nan 4.420 nan 0.000 0.276 584 P C 0.189 177.578 177.300 0.148 0.000 1.230 584 P CA 0.224 63.385 63.100 0.101 0.000 0.776 584 P CB 1.577 33.326 31.700 0.081 0.000 0.888 585 K N 2.146 122.511 120.400 -0.057 0.000 2.262 585 K HA 0.008 4.326 4.320 -0.004 0.000 0.200 585 K C -0.182 176.268 176.600 -0.249 0.000 1.049 585 K CA 0.756 56.872 56.287 -0.285 0.000 0.979 585 K CB 0.129 32.252 32.500 -0.628 0.000 0.773 585 K HN 0.417 nan 8.250 nan 0.000 0.474 586 Y N 0.548 120.882 120.300 0.057 0.000 2.524 586 Y HA 0.100 4.648 4.550 -0.004 0.000 0.344 586 Y C 0.388 175.912 175.900 -0.628 0.000 1.012 586 Y CA -1.647 56.277 58.100 -0.294 0.000 1.068 586 Y CB 1.417 39.719 38.460 -0.264 0.000 1.249 586 Y HN 0.057 nan 8.280 nan 0.000 0.468 587 D N -0.769 119.016 120.400 -1.023 0.000 2.378 587 D HA -0.120 4.518 4.640 -0.004 0.000 0.227 587 D C 0.279 176.223 176.300 -0.595 0.000 1.012 587 D CA 0.774 54.276 54.000 -0.830 0.000 0.905 587 D CB -0.273 39.919 40.800 -1.013 0.000 0.895 587 D HN 0.673 nan 8.370 nan 0.000 0.532 588 D N -1.094 118.930 120.400 -0.626 0.000 2.513 588 D HA -0.031 4.606 4.640 -0.004 0.000 0.222 588 D C 0.150 175.903 176.300 -0.912 0.000 1.210 588 D CA -0.283 53.114 54.000 -1.004 0.000 0.825 588 D CB -0.874 39.601 40.800 -0.542 0.000 1.037 588 D HN 0.099 nan 8.370 nan 0.000 0.506 589 Q N 0.528 120.029 119.800 -0.498 0.000 3.004 589 Q HA 0.157 4.495 4.340 -0.004 0.000 0.256 589 Q C -0.063 175.859 176.000 -0.131 0.000 1.387 589 Q CA -0.277 55.402 55.803 -0.206 0.000 0.962 589 Q CB -0.059 28.663 28.738 -0.028 0.000 1.676 589 Q HN 0.176 nan 8.270 nan 0.000 0.568 590 F N -0.016 119.969 119.950 0.059 0.000 2.206 590 F HA -0.086 4.438 4.527 -0.005 0.000 0.298 590 F C 1.780 177.636 175.800 0.094 0.000 1.090 590 F CA 0.756 58.796 58.000 0.067 0.000 1.323 590 F CB 0.099 39.125 39.000 0.043 0.000 1.028 590 F HN 0.163 nan 8.300 nan 0.000 0.492 591 T N -0.852 113.864 114.554 0.270 0.000 3.390 591 T HA 0.477 4.825 4.350 -0.004 0.000 0.351 591 T C -0.722 174.089 174.700 0.184 0.000 1.759 591 T CA -0.464 61.761 62.100 0.209 0.000 1.561 591 T CB 0.106 69.075 68.868 0.169 0.000 1.011 591 T HN -0.016 nan 8.240 nan 0.000 0.689 592 L N 2.772 124.119 121.223 0.207 0.000 2.264 592 L HA 0.620 4.957 4.340 -0.004 0.000 0.287 592 L C -1.222 175.827 176.870 0.299 0.000 1.039 592 L CA -0.228 54.760 54.840 0.247 0.000 0.829 592 L CB 0.400 42.585 42.059 0.211 0.000 1.211 592 L HN 0.424 nan 8.230 nan 0.000 0.427 593 N N 4.392 123.241 118.700 0.248 0.000 2.249 593 N HA 0.312 5.049 4.740 -0.004 0.000 0.296 593 N C -0.996 174.381 175.510 -0.222 0.000 1.051 593 N CA -0.683 52.409 53.050 0.071 0.000 0.815 593 N CB 2.505 40.990 38.487 -0.004 0.000 1.487 593 N HN 0.532 nan 8.380 nan 0.000 0.475 594 L N 2.830 123.829 121.223 -0.374 0.000 2.714 594 L HA -0.172 4.165 4.340 -0.004 0.000 0.301 594 L C 0.690 177.206 176.870 -0.590 0.000 1.248 594 L CA 1.077 55.496 54.840 -0.701 0.000 0.885 594 L CB -0.219 41.442 42.059 -0.664 0.000 1.143 594 L HN 0.646 nan 8.230 nan 0.000 0.500 595 N N 0.960 119.289 118.700 -0.617 0.000 2.900 595 N HA -0.221 4.517 4.740 -0.004 0.000 0.240 595 N C -0.293 175.078 175.510 -0.232 0.000 0.953 595 N CA 1.288 54.135 53.050 -0.339 0.000 0.950 595 N CB -1.546 36.794 38.487 -0.244 0.000 1.102 595 N HN 0.740 nan 8.380 nan 0.000 0.593 596 D N -0.109 120.145 120.400 -0.243 0.000 2.419 596 D HA 0.304 4.942 4.640 -0.004 0.000 0.236 596 D C 1.450 177.754 176.300 0.006 0.000 1.165 596 D CA 0.740 54.707 54.000 -0.054 0.000 0.882 596 D CB 0.531 41.370 40.800 0.064 0.000 1.201 596 D HN 0.297 nan 8.370 nan 0.000 0.443 597 A N 2.375 125.211 122.820 0.026 0.000 1.858 597 A HA -0.112 4.205 4.320 -0.004 0.000 0.216 597 A C 0.690 178.318 177.584 0.073 0.000 1.190 597 A CA 1.369 53.428 52.037 0.037 0.000 0.617 597 A CB -0.329 18.686 19.000 0.025 0.000 0.827 597 A HN 0.700 nan 8.150 nan 0.000 0.443 598 D N -1.739 118.715 120.400 0.089 0.000 2.412 598 D HA 0.287 4.924 4.640 -0.004 0.000 0.224 598 D C -1.234 175.178 176.300 0.188 0.000 1.093 598 D CA -0.251 53.815 54.000 0.109 0.000 0.850 598 D CB 0.567 41.409 40.800 0.069 0.000 1.046 598 D HN 0.427 nan 8.370 nan 0.000 0.507 599 Y N 1.861 122.181 120.300 0.034 0.000 2.447 599 Y HA 0.227 4.774 4.550 -0.005 0.000 0.325 599 Y C -1.110 174.819 175.900 0.048 0.000 0.976 599 Y CA -0.825 57.301 58.100 0.043 0.000 1.280 599 Y CB 1.402 39.885 38.460 0.038 0.000 1.104 599 Y HN 0.264 nan 8.280 nan 0.000 0.486 600 D N 8.536 128.823 120.400 -0.188 0.000 2.749 600 D HA 0.279 4.916 4.640 -0.004 0.000 0.338 600 D C -2.883 173.253 176.300 -0.274 0.000 1.236 600 D CA -2.058 51.830 54.000 -0.188 0.000 0.845 600 D CB 0.913 41.709 40.800 -0.006 0.000 1.080 600 D HN 0.232 nan 8.370 nan 0.000 0.497 601 P HA 0.072 nan 4.420 nan 0.000 0.279 601 P C 1.025 178.137 177.300 -0.313 0.000 1.252 601 P CA -0.699 62.200 63.100 -0.335 0.000 0.811 601 P CB 1.739 33.212 31.700 -0.379 0.000 1.035 602 L N 1.573 122.609 121.223 -0.313 0.000 1.994 602 L HA 0.068 4.406 4.340 -0.004 0.000 0.208 602 L C 0.261 176.623 176.870 -0.847 0.000 1.071 602 L CA 2.031 56.496 54.840 -0.625 0.000 0.745 602 L CB -0.785 40.848 42.059 -0.710 0.000 0.892 602 L HN 0.226 nan 8.230 nan 0.000 0.431 603 F N -0.293 119.539 119.950 -0.198 0.000 2.536 603 F HA 0.656 5.181 4.527 -0.004 0.000 0.322 603 F C 0.477 176.255 175.800 -0.037 0.000 1.144 603 F CA -0.925 56.849 58.000 -0.378 0.000 0.924 603 F CB 0.536 39.153 39.000 -0.638 0.000 1.181 603 F HN -0.016 nan 8.300 nan 0.000 0.438 604 A N 2.423 125.357 122.820 0.189 0.000 2.366 604 A HA 0.266 4.583 4.320 -0.004 0.000 0.249 604 A C -0.777 177.086 177.584 0.466 0.000 1.084 604 A CA -0.388 51.850 52.037 0.335 0.000 0.794 604 A CB -0.020 19.189 19.000 0.348 0.000 1.034 604 A HN 0.770 nan 8.150 nan 0.000 0.491 605 Y N 0.764 121.304 120.300 0.400 0.000 2.881 605 Y HA 0.214 4.761 4.550 -0.004 0.000 0.335 605 Y C 1.466 177.514 175.900 0.246 0.000 1.263 605 Y CA 1.703 59.975 58.100 0.287 0.000 1.572 605 Y CB 0.110 38.678 38.460 0.180 0.000 1.237 605 Y HN 1.537 nan 8.280 nan 0.000 0.568 606 G N 3.506 112.210 108.800 -0.160 0.000 2.175 606 G HA2 -0.367 3.590 3.960 -0.004 0.000 0.244 606 G HA3 -0.367 3.590 3.960 -0.004 0.000 0.244 606 G C -0.281 174.679 174.900 0.100 0.000 0.982 606 G CA 0.036 45.102 45.100 -0.057 0.000 0.641 606 G HN 0.894 nan 8.290 nan 0.000 0.527 607 Y N 1.396 121.733 120.300 0.061 0.000 2.346 607 Y HA 0.488 5.035 4.550 -0.005 0.000 0.330 607 Y C 0.570 176.461 175.900 -0.014 0.000 1.178 607 Y CA 0.659 58.788 58.100 0.048 0.000 1.331 607 Y CB 1.415 39.941 38.460 0.110 0.000 1.253 607 Y HN 0.758 nan 8.280 nan 0.000 0.529 608 G N 6.550 114.971 108.800 -0.631 0.000 2.617 608 G HA2 0.319 4.277 3.960 -0.004 0.000 0.305 608 G HA3 0.319 4.277 3.960 -0.004 0.000 0.305 608 G C -1.910 172.585 174.900 -0.676 0.000 1.436 608 G CA -0.979 43.777 45.100 -0.573 0.000 1.036 608 G HN 0.805 nan 8.290 nan 0.000 0.589 609 L N 1.429 122.215 121.223 -0.729 0.000 2.464 609 L HA 0.661 4.999 4.340 -0.004 0.000 0.264 609 L C 1.330 177.982 176.870 -0.365 0.000 1.199 609 L CA -0.278 54.259 54.840 -0.505 0.000 0.818 609 L CB 1.310 43.113 42.059 -0.427 0.000 1.102 609 L HN 0.750 nan 8.230 nan 0.000 0.473 610 T N -3.219 111.201 114.554 -0.224 0.000 2.888 610 T HA 0.314 4.661 4.350 -0.004 0.000 0.288 610 T C 0.757 175.441 174.700 -0.025 0.000 1.063 610 T CA -0.596 61.415 62.100 -0.148 0.000 1.010 610 T CB 0.637 69.466 68.868 -0.066 0.000 1.214 610 T HN 0.423 nan 8.240 nan 0.000 0.533 611 Y N 0.131 120.471 120.300 0.066 0.000 2.497 611 Y HA -0.080 4.467 4.550 -0.005 0.000 0.292 611 Y C 2.774 178.681 175.900 0.013 0.000 1.137 611 Y CA -0.149 57.979 58.100 0.048 0.000 1.285 611 Y CB 0.100 38.607 38.460 0.078 0.000 0.991 611 Y HN 0.464 nan 8.280 nan 0.000 0.556 612 Q N 0.302 120.187 119.800 0.142 0.000 2.378 612 Q HA -0.046 4.291 4.340 -0.004 0.000 0.205 612 Q C -0.149 175.875 176.000 0.039 0.000 0.954 612 Q CA 0.775 56.621 55.803 0.072 0.000 0.901 612 Q CB -0.223 28.541 28.738 0.044 0.000 0.981 612 Q HN 0.456 nan 8.270 nan 0.000 0.483 613 D N 1.008 121.423 120.400 0.025 0.000 2.329 613 D HA 0.129 4.766 4.640 -0.004 0.000 0.246 613 D C 0.137 176.447 176.300 0.015 0.000 1.111 613 D CA -0.013 53.988 54.000 0.000 0.000 0.941 613 D CB 0.634 41.408 40.800 -0.043 0.000 1.169 613 D HN -0.050 nan 8.370 nan 0.000 0.441 614 N N 1.428 120.133 118.700 0.008 0.000 2.679 614 N HA 0.247 4.984 4.740 -0.004 0.000 0.302 614 N C -0.678 174.837 175.510 0.008 0.000 1.941 614 N CA -0.151 52.905 53.050 0.010 0.000 0.875 614 N CB 1.021 39.514 38.487 0.009 0.000 1.278 614 N HN 0.281 nan 8.380 nan 0.000 0.490 615 I N 0.737 121.310 120.570 0.005 0.000 2.392 615 I HA 0.256 4.423 4.170 -0.004 0.000 0.295 615 I C -0.116 176.010 176.117 0.014 0.000 0.985 615 I CA -0.616 60.693 61.300 0.015 0.000 1.221 615 I CB 1.224 39.239 38.000 0.025 0.000 1.366 615 I HN -0.042 nan 8.210 nan 0.000 0.467 616 N N 4.075 122.786 118.700 0.018 0.000 2.417 616 N HA 0.485 5.222 4.740 -0.004 0.000 0.300 616 N C -1.066 174.457 175.510 0.022 0.000 1.102 616 N CA -0.446 52.611 53.050 0.012 0.000 0.886 616 N CB 2.281 40.770 38.487 0.004 0.000 1.203 616 N HN 0.143 nan 8.380 nan 0.000 0.496 617 V N 3.815 123.739 119.914 0.016 0.000 2.370 617 V HA 0.421 4.538 4.120 -0.004 0.000 0.279 617 V C -1.793 174.291 176.094 -0.017 0.000 1.029 617 V CA -1.332 60.978 62.300 0.017 0.000 0.870 617 V CB 1.282 33.132 31.823 0.044 0.000 0.984 617 V HN 0.631 nan 8.190 nan 0.000 0.451 618 P HA 0.247 nan 4.420 nan 0.000 0.276 618 P C -0.167 177.100 177.300 -0.054 0.000 1.261 618 P CA -0.304 62.775 63.100 -0.035 0.000 0.800 618 P CB 0.857 32.537 31.700 -0.033 0.000 1.066 619 V N 1.327 121.213 119.914 -0.046 0.000 2.720 619 V HA -0.091 4.026 4.120 -0.004 0.000 0.307 619 V C 0.806 176.860 176.094 -0.066 0.000 1.071 619 V CA 0.773 63.041 62.300 -0.054 0.000 1.199 619 V CB -0.413 31.390 31.823 -0.033 0.000 0.900 619 V HN 0.322 nan 8.190 nan 0.000 0.494 620 L N 3.865 125.036 121.223 -0.088 0.000 2.330 620 L HA 0.446 4.784 4.340 -0.004 0.000 0.271 620 L C 0.406 177.248 176.870 -0.046 0.000 1.013 620 L CA 0.113 54.893 54.840 -0.101 0.000 0.816 620 L CB 1.633 43.584 42.059 -0.179 0.000 1.287 620 L HN 0.730 nan 8.230 nan 0.000 0.435 621 S N 0.731 116.429 115.700 -0.003 0.000 2.549 621 S HA 0.064 4.531 4.470 -0.004 0.000 0.286 621 S C 0.642 175.345 174.600 0.172 0.000 1.314 621 S CA 0.126 58.374 58.200 0.081 0.000 1.062 621 S CB 0.136 63.406 63.200 0.117 0.000 0.865 621 S HN 0.629 nan 8.310 nan 0.000 0.498 622 E N 2.392 122.704 120.200 0.187 0.000 2.548 622 E HA 0.115 4.462 4.350 -0.004 0.000 0.206 622 E C -0.169 176.657 176.600 0.377 0.000 1.005 622 E CA -0.243 56.338 56.400 0.302 0.000 0.951 622 E CB 0.409 30.197 29.700 0.147 0.000 1.035 622 E HN 0.550 nan 8.360 nan 0.000 0.470 623 K N 2.493 123.044 120.400 0.252 0.000 2.416 623 K HA 0.044 4.362 4.320 -0.004 0.000 0.283 623 K C -0.200 176.400 176.600 0.001 0.000 1.037 623 K CA 0.240 56.601 56.287 0.123 0.000 0.995 623 K CB 0.516 33.064 32.500 0.080 0.000 0.938 623 K HN -0.053 nan 8.250 nan 0.000 0.475 624 T N 0.576 115.081 114.554 -0.081 0.000 2.859 624 T HA 0.270 4.618 4.350 -0.004 0.000 0.281 624 T C 0.135 174.723 174.700 -0.188 0.000 1.005 624 T CA -1.013 60.929 62.100 -0.262 0.000 1.025 624 T CB 1.435 70.197 68.868 -0.177 0.000 0.977 624 T HN 0.567 nan 8.240 nan 0.000 0.458 625 S N 3.194 118.750 115.700 -0.241 0.000 2.569 625 S HA 0.378 4.845 4.470 -0.004 0.000 0.274 625 S C -1.704 172.826 174.600 -0.117 0.000 1.353 625 S CA -0.848 57.247 58.200 -0.174 0.000 1.023 625 S CB -0.710 62.372 63.200 -0.197 0.000 0.876 625 S HN 0.848 nan 8.310 nan 0.000 0.540 626 P HA 0.000 nan 4.420 nan 0.000 0.216 626 P CA 0.000 63.066 63.100 -0.056 0.000 0.800 626 P CB 0.000 31.673 31.700 -0.046 0.000 0.726